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39537-36-5

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Basic Information
CAS No.: 39537-36-5
Name: H-ALA-NVA-OH
Molecular Structure:
Molecular Structure of 39537-36-5 (H-ALA-NVA-OH)
Formula: C8H16N2O3
Molecular Weight: 188.227
Synonyms: L-Norvaline,N-L-alanyl-;Norvaline, N-L-alanyl-, L- (6CI,7CI);L-Alanyl-L-norvaline;NSC186913;
Density: 1.136g/cm3
Boiling Point: 410.4 °C at 760 mmHg
Flash Point: 202 °C
PSA: 92.42000
LogP: 0.79430
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    Product Name: H-ALA-NVA-OH Synonyms: L-ALANYL-L-NORVALINE;H-ALA-NVA-OH CAS: 39537-36-5 MF: C8H16N2O3 MW: 188.22 Appearance:white powder Storage:Room temperature Package:bag Application:Organic Chemicals Transportation:by sea Port:China main

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Specification

The L-Norvaline, L-alanyl-, with CAS registry number 39537-36-5, has the systematic name of alanylnorvaline. Besides this, it is also called H-ala-nva-oh. And the chemical formula of this chemical is C8H16N2O3. Its molecular weight is 188.22.

Physical properties of L-Norvaline, L-alanyl-: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -2.66; (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: 6; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 47.75 cm3; (15)Molar Volume: 165.5 cm3; (16)Polarizability: 18.93×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 202 °C; (20)Enthalpy of Vaporization: 72.71 kJ/mol; (21)Boiling Point: 410.4 °C at 760 mmHg; (22)Vapour Pressure: 6.97E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)CCC)C(N)C
(2)InChI: InChI=1/C8H16N2O3/c1-3-4-6(8(12)13)10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
(3)InChIKey: AIPOPRCRQHBMLB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H16N2O3/c1-3-4-6(8(12)13)10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
(5)Std. InChIKey: AIPOPRCRQHBMLB-UHFFFAOYSA-N