Cas no 727989-12-0 (2-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine)
727989-12-0 structure
Product Name:2-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
CAS No:727989-12-0
MF:C10H22N2
MW:170.295082569122
CID:2800329
PubChem ID:69217952
Update Time:2025-04-21
2-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- DTXSID10740021
- 727989-12-0
- 2-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
- SCHEMBL4853289
-
- Inchi： 1S/C10H22N2/c1-7-4-10(2,3)5-9(12)8(7)6-11/h7-9H,4-6,11-12H2,1-3H3
- InChI Key： VGYMIFNRDLQBEN-UHFFFAOYSA-N
- SMILES： NC1CC(C)(C)CC(C)C1CN
Computed Properties
- Exact Mass: 170.178298710Da
- Monoisotopic Mass: 170.178298710Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 52?2
2-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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