Cas no 89951-91-7 (1,2-Propanediol, 2-(3-amino-4-methylcyclohexyl)-)
89951-91-7 structure
Product Name:1,2-Propanediol, 2-(3-amino-4-methylcyclohexyl)-
CAS No:89951-91-7
MF:C10H21NO2
MW:187.27924323082
CID:584759
PubChem ID:71326999
Update Time:2025-04-19
1,2-Propanediol, 2-(3-amino-4-methylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 2-(3-amino-4-methylcyclohexyl)-
- 2-(3-amino-4-methylcyclohexyl)propane-1,2-diol
- 89951-91-7
- DTXSID00756116
-
- Inchi： 1S/C10H21NO2/c1-7-3-4-8(5-9(7)11)10(2,13)6-12/h7-9,12-13H,3-6,11H2,1-2H3
- InChI Key： PFOKRAZVNICNIP-UHFFFAOYSA-N
- SMILES： OC(C)(CO)C1CCC(C)C(C1)N
Computed Properties
- Exact Mass: 187.157228913g/mol
- Monoisotopic Mass: 187.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 66.5?2
1,2-Propanediol, 2-(3-amino-4-methylcyclohexyl)- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
89951-91-7 (1,2-Propanediol, 2-(3-amino-4-methylcyclohexyl)-) Related Products
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