CAS No.21394-81-0,D-ASPARTIC ACID-BETA-METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21394-81-0
Name:	D-ASPARTIC ACID-BETA-METHYL ESTER
Article Data:	5

Formula:	C₅H₉NO₄
Molecular Weight:	147.13
Synonyms:	Asparticacid, 4-methyl ester, D- (7CI,8CI);D-Aspartic acid b-methyl ester;
Density:	1.299 g/cm³
Melting Point:	188-190 °C
Boiling Point:	301.7 °C at 760 mmHg
Flash Point:	136.3 °C
PSA:	89.62000
LogP:	0.46370

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Specification

The D-Aspartic acid,4-methyl ester, with CAS registry number 21394-81-0, has the systematic name of (2R)-2-amino-4-methoxy-4-oxobutanoic acid (non-preferred name). This chemical should be stored at the temperature of 0-5°C. And the chemical formula of this chemical is C₅H₉NO₄.

Physical properties of D-Aspartic acid,4-methyl ester: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -2.88; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 32.04 cm³; (15)Molar Volume: 113.2 cm³; (16)Polarizability: 12.7×10^-24cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 59.61 kJ/mol; (21)Boiling Point: 301.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000242 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C[C@@H](N)C(=O)O
(2)InChI: InChI=1/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m1/s1
(3)InChIKey: SBRYFUVVWOMLLP-GSVOUGTGBC
(4)Std. InChI: InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m1/s1
(5)Std. InChIKey: SBRYFUVVWOMLLP-GSVOUGTGSA-N