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Aspartic acid, 3-amino-

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Name

Aspartic acid, 3-amino-

EINECS N/A
CAS No. 921-52-8 Density 1.611 g/cm3
PSA 126.64000 LogP -0.78920
Solubility N/A Melting Point N/A
Formula C4H8N2O4 Boiling Point 304.7 °C at 760 mmHg
Molecular Weight 148.119 Flash Point 138.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 921-52-8 (DL-2,3-diaminosuccinic acid) Hazard Symbols N/A
Synonyms

Succinicacid, 2,3-diamino- (6CI,7CI,8CI);2,3-Diaminosuccinic acid;Butanedioic acid,2,3-diamino-;Diaminosuccinic acid;(3S)-3-aminoaspartic acid;(2S)-2,3-diaminobutanedioic acid;meso-Diaminosuccinic acid;

 

Aspartic acid, 3-amino- Specification

The Aspartic acid, 3-amino-, with the CAS registry number 921-52-8, has the systematic name of (3S)-3-aminoaspartic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H8N2O4.

The characteristics of Aspartic acid, 3-amino- are as followings: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.24; (4)ACD/LogD (pH 7.4): -3.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 30.69 cm3; (15)Molar Volume: 91.9 cm3; (16)Polarizability: 12.16×10-24cm3; (17)Surface Tension: 95.9 dyne/cm; (18)Density: 1.611 g/cm3; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 59.96 kJ/mol; (21)Boiling Point: 304.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000197 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)[C@H](N)C(=O)O
(2)InChI: InChI=1/C4H8N2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H,7,8)(H,9,10)/t1-,2?/m0/s1
(3)InChIKey: PGNYNCTUBKSHHL-PIKHSQJKBZ

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