Cas no 188177-98-2 (3-Cyclohexene-1-carboxylicacid, 1-amino-, methyl ester, (1R)-)
188177-98-2 structure
Product Name:3-Cyclohexene-1-carboxylicacid, 1-amino-, methyl ester, (1R)-
CAS No:188177-98-2
MF:C8H13NO2
MW:155.194322347641
CID:115230
PubChem ID:45082151
Update Time:2025-04-18
3-Cyclohexene-1-carboxylicacid, 1-amino-, methyl ester, (1R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylicacid, 1-amino-, methyl ester, (1R)-
- methyl (1R)-1-aminocyclohex-3-ene-1-carboxylate
- 3-Cyclohexene-1-carboxylicacid,1-amino-,methylester,(1R)-(9CI)
- DTXSID40665132
- 188177-98-2
-
- Inchi： 1S/C8H13NO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-3H,4-6,9H2,1H3/t8-/m0/s1
- InChI Key： FNGUJQIETLABEY-QMMMGPOBSA-N
- SMILES： O(C)C([C@@]1(CC=CCC1)N)=O
Computed Properties
- Exact Mass: 155.09500
- Monoisotopic Mass: 155.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 0.6
Experimental Properties
- PSA: 52.32000
- LogP: 1.29730
3-Cyclohexene-1-carboxylicacid, 1-amino-, methyl ester, (1R)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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