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4685-12-5

Basic Information
CAS No.: 4685-12-5
Name: GLYCYL-L-ASPARTIC ACID
Article Data: 8
Molecular Structure:
Molecular Structure of 4685-12-5 (GLYCYL-L-ASPARTIC ACID)
Formula: C6H10N2O5
Molecular Weight: 190.156
Synonyms: Asparticacid, N-glycyl-, L- (8CI);L-Aspartic acid, N-glycyl-;Glycyl-L-aspartic acid;Glycylaspartic acid;N-Glycyl-L-aspartic acid;N-Glycylaspartic acid;
EINECS: 225-140-1
Density: 1.499 g/cm3
Melting Point: ~205 °C
Boiling Point: 468.7 °C at 760 mmHg
Flash Point: 237.3 °C
Solubility: almost transparency in Water
Hazard Symbols: Xi
Risk Codes: 37/38-41
Safety: 26-39
PSA: 129.72000
LogP: -0.91960
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Specification

This chemical is called L-Aspartic acid, glycyl-, and its systematic name is Glycyl-L-aspartic Acid. With the molecular formula of C6H10N2O5, its molecular weight is 190.15. The CAS registry number of this chemical is 4685-12-5. Additionally, its product categories are Biochemistry; Oligopeptides; Peptide Synthesis. It should be stored at the temperature of  -15°C. 

Other characteristics of the L-Aspartic acid, glycyl- can be summarised as followings: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.73; (4)ACD/LogD (pH 7.4): -5.21; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 40.09 cm3; (15)Molar Volume: 126.8 cm3; (16)Polarizability: 15.89×10-24cm3; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.499 g/cm3; (19)Flash Point: 237.3 °C; (20)Enthalpy of Vaporization: 80.08 kJ/mol; (21)Boiling Point: 468.7 °C at 760 mmHg; (22)Vapour Pressure: 4.41E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@H](C(=O)O)CC(=O)O)CN
2.InChI: InChI=1/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
3.InChIKey: SCCPDJAQCXWPTF-VKHMYHEABW