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CAS No.: | 64191-14-6 |
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Name: | (1S,2R)-2-Aminocyclopentanecarboxylic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | Cyclopentanecarboxylicacid, 2-amino-, (1S-cis)-;(+)-Cispentacin;cis-(1S,2R)-2-Aminocyclopentanecarboxylic acid;(1S,2R)-2-Aminocyclopentanecarboxylic acid; |
Density: | 1.19 g/cm3 |
Melting Point: | 218-219 °C (sublm)(Solv: water (7732-18-5); acetone (67-64-1)) |
Boiling Point: | 264.72 °C at 760 mmHg |
Flash Point: | 113.899 °C |
PSA: | 63.32000 |
LogP: | 0.89870 |
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The (1S,2R)-2-Aminocyclopentanecarboxylic acid with CAS registry number of 64191-14-6 is also known as (+)-Cispentacin. The systematic name and product name are the same. It belongs to product categories of Aminoacid. In addition, the formula is C6H11NO2 and the molecular weight is 129.16.
The other characteristics of (1S,2R)-2-Aminocyclopentanecarboxylic acid can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.32 Å2; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 32.719 cm3; (12)Molar Volume: 108.536 cm3; (13)Polarizability: 12.971×10-24cm3; (14)Surface Tension: 49.946 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 113.899 °C; (17)Enthalpy of Vaporization: 55.328 kJ/mol; (18)Boiling Point: 264.72 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: C1C[C@@H]([C@@H](C1)N)C(=O)O
(2)InChI: InChI=1/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
(3)InChIKey: JWYOAMOZLZXDER-CRCLSJGQBQ
(4)Std. InChI: InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
(5)Std. InChIKey: JWYOAMOZLZXDER-CRCLSJGQSA-N