CAS No.31556-74-8,H-TBU-GLY-OTBU HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31556-74-8
Name:	H-TBU-GLY-OTBU HCL
Article Data:	8

Formula:	C₁₀H₂₁NO₂
Molecular Weight:	187.282
Synonyms:	Butyricacid, 2-amino-3,3-dimethyl-, tert-butyl ester, L- (8CI);(S)-2-Amino-3,3-dimethylbutanoic acid tert-butyl ester;tert-Butyl 3-methyl-L-valinate;
Density:	0.93 g/cm³
Boiling Point:	217.2 °C at 760 mmHg
Flash Point:	85.9 °C
Hazard Symbols:	Xn
Risk Codes:	22-51
PSA:	52.32000
LogP:	2.40180

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Specification

The L-Valine, 3-methyl-,1,1-dimethylethyl ester, with the CAS registry number 31556-74-8, is also known as (S)-2-Amino-3,3-dimethylbutanoic acid tert-butyl ester. This chemical's molecular formula is C₁₀H₂₁NO₂ and molecular weight is 223.74. What's more, its systematic name is tert-butyl 3-methyl-L-valinate.

Physical properties of L-Valine, 3-methyl-,1,1-dimethylethyl ester are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.96; (7)ACD/KOC (pH 5.5): 1.18; (8)ACD/KOC (pH 7.4): 60.07; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 53.57 cm³; (15)Molar Volume: 201.2 cm³; (16)Polarizability: 21.23×10^-24cm³; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.93 g/cm³; (19)Flash Point: 85.9 °C; (20)Enthalpy of Vaporization: 45.36 kJ/mol; (21)Boiling Point: 217.2 °C at 760 mmHg; (22)Vapour Pressure: 0.134 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)[C@@H](N)C(C)(C)C
(2)InChI: InChI=1S/C10H21NO2/c1-9(2,3)7(11)8(12)13-10(4,5)6/h7H,11H2,1-6H3/t7-/m1/s1
(3)InChIKey: IGZORTGLYQDNMF-SSDOTTSWSA-N