3-(2,6-二甲基-4-吗啉)-1-丙胺 | 91551-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 3-(2,6-二甲基-4-吗啉)-1-丙胺
• 中文别名: 3-(2,6-顺式2,6-二甲基吗啉-4-基)丙胺；[3-(2,6-二甲基吗啉-4-基)丙基]胺；3-(2,6-二甲基-4-吗啉)丙-1-胺；3-(2,6-顺式2,6-二甲基吗啉-4-基)丙-1-胺
• 英文名称: 3-(2,6-dimethyl-morpholin-4-yl)-propylamine
• 英文别名: 2,6-Dimethyl-4-(3-aminopropyl)-morpholin；3-(2,6-Dimethylmorpholin-4-yl)propan-1-amine
• CAS: 91551-59-6
• 化学式: C₉H₂₀N₂O
• mdl: MFCD08445210
• 分子量: 172.271
• InChiKey: NIFZHABTMWBHTG-UHFFFAOYSA-N

物化性质

• 沸点：
  248.7±25.0 °C(Predicted)
• 密度：
  0.924±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-(2,6-Dimethylmorpholin-4-yl)propan-1-amine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3-(2,6-Dimethylmorpholin-4-yl)propan-1-amine
CAS number: 91551-59-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H20N2O
Molecular weight: 172.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  乙醇酸乙酯 、 3-(2,6-二甲基-4-吗啉)-1-丙胺 生成 N-[3-(2,6-dimethyl-morpholino)-propyl]-glycolamide
  参考文献：
  名称：

  Aminoalkylamides and Oxazolidinediones¹

  摘要：

  DOI：

  10.1021/ja01521a043
• 作为产物：
  描述：

  2,6-二甲基-4-吗啉丙腈 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 3-(2,6-二甲基-4-吗啉)-1-丙胺
  参考文献：
  名称：

  A Structure−Activity Relationship Study of Novel Phenylacetamides Which Are Sodium Channel Blockers

  摘要：

  A structure-activity relationship study of a series of novel Na+ channel blockers, structurally related to N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-alpha-phenylbenzeneacetamide (1, PD85639) is described. The diphenylacetic acid portion of the molecule was left unchanged throughout the study, while structural features in the amine portion and the amide alkyl linkage of the molecule were modified. The compounds were tested for inhibition of veratridine-stimulated Na+ influx in CHO cells expressing type IIA Na+ channels. Several derivatives show a trend toward more potent Na+ channel blockade activity with increasing lipophilicity of the amine portion of the molecule. The presence of a phenyl ring near the amine increases inhibitory potency. A three-carbon spacer between the amide and amine is optimal, and a secondary amide linkage is preferred.

  DOI：

  10.1021/jm950467y

文献信息

• Tertiary Carbinols of the Piperazine Series. III. Reaction of 1,1-Diphenylethylene Oxide with Piperazines and Other Polyamines
  作者：Harold E. Zaugg、Raymond J. Michaels

  DOI：10.1021/ja01544a049

  日期：1958.6
• A Structure−Activity Relationship Study of Novel Phenylacetamides Which Are Sodium Channel Blockers
  作者：Ioannis Roufos、Sheryl Hays、Roy D. Schwarz

  DOI：10.1021/jm950467y

  日期：1996.1.1

  A structure-activity relationship study of a series of novel Na+ channel blockers, structurally related to N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-alpha-phenylbenzeneacetamide (1, PD85639) is described. The diphenylacetic acid portion of the molecule was left unchanged throughout the study, while structural features in the amine portion and the amide alkyl linkage of the molecule were modified. The compounds were tested for inhibition of veratridine-stimulated Na+ influx in CHO cells expressing type IIA Na+ channels. Several derivatives show a trend toward more potent Na+ channel blockade activity with increasing lipophilicity of the amine portion of the molecule. The presence of a phenyl ring near the amine increases inhibitory potency. A three-carbon spacer between the amide and amine is optimal, and a secondary amide linkage is preferred.
• Aminoalkylamides and Oxazolidinediones¹
  作者：Seymour L. Shapiro、Ira M. Rose、Louis Freedman

  DOI：10.1021/ja01521a043

  日期：1959.6