Cas no 68970-11-6 (1(2H)-Azocinamine,hexahydro-N,N-dimethyl-)
68970-11-6 structure
Product Name:1(2H)-Azocinamine,hexahydro-N,N-dimethyl-
CAS No:68970-11-6
MF:C9H20N2
MW:156.268502235413
CID:519694
PubChem ID:144329
Update Time:2025-04-19
1(2H)-Azocinamine,hexahydro-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Azocinamine,hexahydro-N,N-dimethyl-
- Azocine, 1-dimethylamino-octahydro-
- N,N-dimethylazocan-1-amine
- 68970-11-6
- SCHEMBL4178502
- DTXSID70219026
-
- Inchi： 1S/C9H20N2/c1-10(2)11-8-6-4-3-5-7-9-11/h3-9H2,1-2H3
- InChI Key： AIAYHHVPBDMONG-UHFFFAOYSA-N
- SMILES： N1(CCCCCCC1)N(C)C
Computed Properties
- Exact Mass: 156.1628
- Monoisotopic Mass: 156.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 93.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 0.9
- Boiling Point: 213.6°C at 760 mmHg
- Flash Point: 75.1°C
- Refractive Index: 1.486
- PSA: 6.48
1(2H)-Azocinamine,hexahydro-N,N-dimethyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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