Cas no 156406-14-3 (Cyclopentanecarboxylic acid, 2-amino-5-methyl-, (1alpha,2alpha,5beta)- (9CI))
156406-14-3 structure
Product Name:Cyclopentanecarboxylic acid, 2-amino-5-methyl-, (1alpha,2alpha,5beta)- (9CI)
CAS No:156406-14-3
MF:C7H13NO2
MW:143.183622121811
CID:107465
Update Time:2024-01-24
Cyclopentanecarboxylic acid, 2-amino-5-methyl-, (1alpha,2alpha,5beta)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanecarboxylic acid, 2-amino-5-methyl-, (1alpha,2alpha,5beta)- (9CI)
- (1S,2R,5R)-2-amino-5-methylcyclopentane-1-carboxylic acid
- Cyclopentanecarboxylic acid, 2-amino-5-methyl-, (1α,2α,5β)- (9CI)
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- Inchi： 1S/C7H13NO2/c1-4-2-3-5(8)6(4)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5-,6+/m1/s1
- InChI Key： BOROYIIFTARKLX-PBXRRBTRSA-N
- SMILES： [C@H]1(C(O)=O)[C@H](C)CC[C@H]1N
Computed Properties
- Exact Mass: 143.095
- Monoisotopic Mass: 143.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 147
- 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
- Topological Polar Surface Area: 63.3A^2
Experimental Properties
- Density: 1.114±0.06 g/cm3(Predicted)
- Boiling Point: 266.1±33.0 °C(Predicted)
- pka: 3.88±0.40(Predicted)
Cyclopentanecarboxylic acid, 2-amino-5-methyl-, (1alpha,2alpha,5beta)- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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