Cas no 91021-72-6 (Cyclohexaneethanamine, N-(1-methylethyl)-, hydrochloride)
91021-72-6 structure
Product Name:Cyclohexaneethanamine, N-(1-methylethyl)-, hydrochloride
CAS No:91021-72-6
MF:C11H24ClN
MW:205.76796245575
CID:749511
PubChem ID:71327895
Update Time:2025-04-19
Cyclohexaneethanamine, N-(1-methylethyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneethanamine, N-(1-methylethyl)-, hydrochloride
- N-(2-cyclohexylethyl)propan-2-amine,hydrochloride
- 91021-72-6
- N-(2-Cyclohexylethyl)propan-2-amine--hydrogen chloride (1/1)
- DTXSID50756904
-
- Inchi： 1S/C11H23N.ClH/c1-10(2)12-9-8-11-6-4-3-5-7-11;/h10-12H,3-9H2,1-2H3;1H
- InChI Key： FVYKOQQBYPCCLO-UHFFFAOYSA-N
- SMILES： Cl.N(C(C)C)CCC1CCCCC1
Computed Properties
- Exact Mass: 205.1597275g/mol
- Monoisotopic Mass: 205.1597275g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 104
- 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: 12?2
Cyclohexaneethanamine, N-(1-methylethyl)-, hydrochloride Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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