Cas no 28262-16-0 (1,3-Cyclohexanediamine, methyl-)
28262-16-0 structure
Product Name:1,3-Cyclohexanediamine, methyl-
CAS No:28262-16-0
MF:C7H16N2
MW:128.215341567993
CID:238194
PubChem ID:11983529
Update Time:2025-04-19
1,3-Cyclohexanediamine, methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanediamine, methyl-
- 1-methylcyclohexane-1,3-diamine
- 1,3-diamino-1-methylcyclohexan
- SCHEMBL239833
- 28262-16-0
- DTXSID80475156
- AKOS006337246
-
- Inchi： 1S/C7H16N2/c1-7(9)4-2-3-6(8)5-7/h6H,2-5,8-9H2,1H3
- InChI Key： GPNDHIHNPSXXSM-UHFFFAOYSA-N
- SMILES： NC1(C)CCCC(C1)N
Computed Properties
- Exact Mass: 128.13148
- Monoisotopic Mass: 128.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
1,3-Cyclohexanediamine, methyl- Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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