Cas no 106645-31-2 (Cyclohexanecarboxylic acid, 2-amino-3-methyl-)
106645-31-2 structure
Product Name:Cyclohexanecarboxylic acid, 2-amino-3-methyl-
CAS No:106645-31-2
MF:C8H15NO2
MW:157.210202455521
CID:1175990
PubChem ID:20196305
Update Time:2025-04-20
Cyclohexanecarboxylic acid, 2-amino-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 2-amino-3-methyl-
- 2-amino-3-methylcyclohexane-1-carboxylic acid
- DTXSID30603422
- SCHEMBL10801935
- 2-amino-3-methylcyclohexanecarboxylic acid
- 106645-31-2
-
- Inchi： 1S/C8H15NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)
- InChI Key： OBPLMAYWNWWLFV-UHFFFAOYSA-N
- SMILES： OC(C1CCCC(C)C1N)=O
Computed Properties
- Exact Mass: 157.11035
- Monoisotopic Mass: 157.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Cyclohexanecarboxylic acid, 2-amino-3-methyl- Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
106645-31-2 (Cyclohexanecarboxylic acid, 2-amino-3-methyl-) Related Products
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