Name: DL-2,3-diaminosuccinic acid
SKU: 921-52-8

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Basic Information

Molecular Structure:
CAS No.:	921-52-8
Name:	DL-2,3-diaminosuccinic acid

Formula:	C₄H₈N₂O₄
Molecular Weight:	148.119
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;
Density:	1.611 g/cm³
Boiling Point:	304.7 °C at 760 mmHg
Flash Point:	138.1 °C
PSA:	126.64000
LogP:	-0.78920

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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