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Name |
(S)-3-Aminopentanoic acid |
EINECS | N/A |
CAS No. | 14389-77-6 | Density | 1.067 g/cm3 |
PSA | 63.32000 | LogP | 0.89870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H11NO2 | Boiling Point | 230.1 °C at 760 mmHg |
Molecular Weight | 117.148 | Flash Point | 93 °C |
Transport Information | N/A | Appearance | Colorless to pale yellow liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pentanoicacid, 3-amino-, (S)-;Valeric acid, 3-amino-, (S)-(+)- (8CI); |
Article Data | 2 |
The systematic name of (S)-3-Aminopentanoic acid is (3S)-3-aminopentanoic acid. With the CAS registry number 14389-77-6, it is also named as Pentanoic acid,3-amino-, (3S)-. The product's category is API Intermediates. In addition, its molecular formula is C5H11NO2 and molecular weight is 117.15.
The other characteristics of (S)-3-Aminopentanoic acid can be summarized as: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 30.27 cm3; (13)Molar Volume: 109.7 cm3; (14)Polarizability: 12×10-24cm3; (15)Surface Tension: 41.9 dyne/cm; (16)Density: 1.067 g/cm3; (17)Flash Point: 93 °C; (18)Enthalpy of Vaporization: 51.42 kJ/mol; (19)Boiling Point: 230.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0238 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C[C@@H](N)CC
(2)InChI: InChI=1/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
(3)InChIKey: QFRURJKLPJVRQY-BYPYZUCNBX
(4)Std. InChI: InChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
(5)Std. InChIKey: QFRURJKLPJVRQY-BYPYZUCNSA-N