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1999-33-3

Basic Information
CAS No.: 1999-33-3
Name: L-Asparagine, glycyl-
Molecular Structure:
Molecular Structure of 1999-33-3 (L-Asparagine, glycyl-)
Formula: C6H11N3O4
Molecular Weight: 189.1692
Synonyms: Asparagine,N2-glycyl-, L- (8CI);L-Asparagine, N2-glycyl- (6CI);Glycyl-L-asparagine;Glycylasparagine;N2-Glycylasparagine;NSC 203810;
EINECS: 217-881-4
Density: 1.422 g/cm3
Melting Point:
Boiling Point: 628.2 °C at 760 mmHg
Flash Point: 333.8 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 135.51000
LogP: -0.81860
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Specification

The L-Asparagine, glycyl-, with the CAS registry number 1999-33-3, is also known as Glycylasparagine. It belongs to the product categories of Amino Acid Derivatives; Biochemistry; Oligopeptides; Peptide Synthesis. Its EINECS registry number is 217-881-4. This chemical's molecular formula is C6H11N3O4 and molecular weight is 189.17. What's more, its IUPAC name is called 4-Amino-2-[(2-aminoacetyl)amino]-4-oxobutanoic acid. It should be kept at -18 °C.

Physical properties about L-Asparagine, glycyl- are: (1) ACD/LogP: -2.28; (2) # of Rule of 5 Violations: 1; (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: 7; (8) #H bond donors: 6; (9) #Freely Rotating Bonds: 6; (10) Polar Surface Area: 70.16 Å2; (11) Index of Refraction: 1.545; (12) Molar Refractivity: 42.09 cm3; (13) Molar Volume: 132.9 cm3; (14) Surface Tension: 71.1 dyne/cm; (15) Density: 1.422 g/cm3; (16) Flash Point: 333.8 °C; (17) Enthalpy of Vaporization: 101.45 kJ/mol; (18) Boiling Point: 628.2 °C at 760 mmHg; (19) Vapour Pressure: 2.13E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC(C(=O)O)CC(=O)N)CN
(2) InChI: InChI=1/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)
(3) InChIKey: FUESBOMYALLFNI-UHFFFAOYAL