CAS No.219310-09-5,L-BETA-HOMOVALINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	219310-09-5
Name:	L-BETA-HOMOVALINE HYDROCHLORIDE

Formula:	C₆H₁₄ClNO₂
Molecular Weight:	167.63
Synonyms:	Pentanoicacid, 3-amino-4-methyl-, hydrochloride, (3R)- (9CI);
EINECS:	200-258-5
Boiling Point:	232 °C at 760 mmHg
Flash Point:	94.1 °C
PSA:	63.32000
LogP:	1.94670

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Specification

The systematic name of this chemical is (3R)-3-amino-4-methylpentanoic acid hydrochloride. With the CAS registry number 219310-09-5, it is also named as L-beta-Homovaline hydrochloride. The product's category is Beta Amino Acids. In addition, the molecular formula is C₆H₁₄ClNO₂ and molecular weight is 167.63.

The other characteristics of (3R)-3-Amino-4-methylpentanoic acid hydrochloride can be summarized as: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -2.13; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 94.1 °C; (14)Enthalpy of Vaporization: 51.63 kJ/mol; (15)Boiling Point: 232 °C at 760 mmHg; (16)Vapour Pressure: 0.0212 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(O)C[C@@H](N)C(C)C
2. InChI:InChI=1/C6H13NO2.ClH/c1-4(2)5(7)3-6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t5-;/m1./s1
3. InChIKey:SLNFFBWDHRKWCB-NUBCRITNBO
4. Std. InChI:InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)3-6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t5-;/m1./s1
5. Std. InChIKey:SLNFFBWDHRKWCB-NUBCRITNSA-N