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2325-17-9

Basic Information
CAS No.: 2325-17-9
Name: GLYCYL-DL-VALINE
Article Data: 10
Molecular Structure:
Molecular Structure of 2325-17-9 (GLYCYL-DL-VALINE)
Formula: C7H14N2O3
Molecular Weight: 174.2
Synonyms: Glycylvaline;
Density: 1.168 g/cm3
Melting Point: 173-174 °C
Boiling Point: 405 °C at 760 mmHg
Flash Point: 198.8 °C
PSA: 92.42000
LogP: 0.26170
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Specification

The Valine, glycyl-, with the CAS registry number of 2325-17-9, is also known as Glycylvaline. It belongs to the product categories of Biochemistry; Oligopeptides; Peptide Synthesis. This chemical's molecular formula is C7H14N2O3 and molecular weight is 174.2. What's more, its IUPAC name is 2-[(2-Aminoacetyl)amino]-3-methylbutanoic acid. In addition, it must be stored in airtight containers and placed in a dry place.

Physical properties about the Valine, glycyl- are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.12; (4)ACD/LogD (pH 7.4): -3.35; (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: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 43.12 cm3; (15)Molar Volume: 149 cm3; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.168 g/cm3; (18)Flash Point: 198.8 °C; (19)Enthalpy of Vaporization: 72.04 kJ/mol; (20)Boiling Point: 405 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC(C(=O)O)C(C)C)CN
(2) InChI: InChI=1/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)
(3) InChIKey: STKYPAFSDFAEPH-UHFFFAOYAE