Cas no 336100-66-4 (Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-)
336100-66-4 structure
Product Name:Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
CAS No:336100-66-4
MF:C11H21NO2
MW:199.28994345665
CID:301923
PubChem ID:28182705
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
- (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
- (1S,2S,5R)-1-Amino-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylic acid
- 336100-66-4
- DTXSID10651163
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- Inchi: 1S/C11H21NO2/c1-7(2)9-5-4-8(3)6-11(9,12)10(13)14/h7-9H,4-6,12H2,1-3H3,(H,13,14)/t8-,9+,11+/m1/s1
- InChI Key: JQVZBHFMBLSPCF-YWVKMMECSA-N
- SMILES: OC([C@@]1(C[C@H](C)CC[C@H]1C(C)C)N)=O
Computed Properties
- Exact Mass: 199.15733
- Monoisotopic Mass: 199.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- Related Literature
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
336100-66-4 (Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-) Related Products
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