3-(Azepan-1-Yl)Propan-1-Amine 3-(氮杂环庚烷-1-基)-1-丙胺

CAS 3437-33-0 MFCD00020990

化学结构图

3437-33-0
SMILES: NCCCN1CCCCCC1

化学属性

Mol. FormulaC9H20N2
Mol. Weight156.27
Melting PointBP: 70 - 72 @ 0.5mm Hg (°C)
Boiling Point70-72 °C at 0.5 mmHg

别名和识别编码

Chemical Name3-(Azepan-1-Yl)Propan-1-Amine
CAS Number3437-33-0
Alfabeta NameAZEPANYLPROPANAMINE 311()----
MDL NumberMFCD00020990
Synonym 3-(1-Azepanyl)-1-propanamine {LY} 3-(1-Azepanyl)-1-propanamine {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(1-Azepanyl)-1-propanam
Chemical Name Translation3-(氮杂环庚烷-1-基)-1-丙胺
InChIKeyAOGPNSGQLBQHHH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00123464
PubChem Substance ID2764395
InChIInChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
Canonical SMILESC1CCCN(CC1)CCCN
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分类

  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R34 Causes burns 会导致灼伤
UN Number 2735
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P330+P331
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
1
LogP
5.366000000000001e-001

其他信息

  • MOL 文件:3437-33-0.mol

系列性分类

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