Cas no 7463-01-6 (1(2H)-Azocineethanamine,N,N-diethylhexahydro-, hydrochloride (1:2))
7463-01-6 structure
Product Name:1(2H)-Azocineethanamine,N,N-diethylhexahydro-, hydrochloride (1:2)
CAS No:7463-01-6
MF:C13H29ClN2
MW:248.835762739182
CID:579892
PubChem ID:24200955
Update Time:2025-04-19
1(2H)-Azocineethanamine,N,N-diethylhexahydro-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Azocineethanamine,N,N-diethylhexahydro-, hydrochloride (1:2)
- DTXSID10639587
- 7463-01-6
- 2-(Azocan-1-yl)-N,N-diethylethan-1-amine--hydrogen chloride (1/1)
- NSC402507
- NSC-402507
-
- Inchi： 1S/C13H28N2.ClH/c1-3-14(4-2)12-13-15-10-8-6-5-7-9-11-15;/h3-13H2,1-2H3;1H
- InChI Key： QOWWFFGHBNTYQF-UHFFFAOYSA-N
- SMILES： Cl.N1(CCN(CC)CC)CCCCCCC1
Computed Properties
- Exact Mass: 212.22544
- Monoisotopic Mass: 248.202
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 136
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 6.5A^2
Experimental Properties
- Density: 0.87
- Boiling Point: 262.7°Cat760mmHg
- Flash Point: 101.9°C
- Refractive Index: 1.465
- PSA: 6.48
1(2H)-Azocineethanamine,N,N-diethylhexahydro-, hydrochloride (1:2) Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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