(S)-3-Aminopentanoic acid supplier

Name
(S)-3-Aminopentanoic acid
EINECS
CAS No. 14389-77-6
Article Data2
CAS DataBase
Density 1.067 g/cm³
Solubility
Melting Point
Formula C₅H₁₁NO₂
Boiling Point 230.1 °C at 760 mmHg
Molecular Weight 117.148
Flash Point 93 °C
Transport Information
Appearance Colorless to pale yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentanoicacid, 3-amino-, (S)-;Valeric acid, 3-amino-, (S)-(+)- (8CI);
PSA 63.32000
LogP 0.89870

(S)-3-Aminopentanoic acid Specification

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

Product Name

(S)-3-Aminopentanoic acid

(S)-3-Aminopentanoic acid Specification

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