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760-84-9

Basic Information
CAS No.: 760-84-9
Name: L-Leucine hydrochloride
Article Data: 16
Molecular Structure:
Molecular Structure of 760-84-9 (L-Leucine hydrochloride)
Formula: C6H13NO2.HCl
Molecular Weight: 167.636
Synonyms: L-Leucine,hydrochloride (9CI);Leucine hydrochloride (6CI);Leucine, hydrochloride, L-(8CI);(S)-Leucine hydrochloride;L-Leucine monohydrochloride;
EINECS: 212-083-2
Boiling Point: 225.8 °C at 760 mmHg
Flash Point: 90.3 °C
PSA: 63.32000
LogP: 1.94670
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Specification

The L-Leucine hydrochloride with the CAS number 760-84-9 is also called Leucine, hydrochloride, L-(8CI). The IUPAC name is (2S)-2-amino-4-methylpentanoic acid hydrochloride. Its EINECS registry number is 212-083-2. The molecular formula is C6H13NO2.HCl. This chemical belongs to the following product categories: (1)Alphabetic; (2)Amino Acids, Peptides and Proteins; (3)Amino AcidsAnalytical Standards; (4)L; (5)Life Sciences Standards.

The properties of the chemical are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -1.77; (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)Enthalpy of Vaporization: 50.93 kJ/mol; (14)Vapour Pressure: 0.0309 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)[C@@H](N)CC(C)C
(2)InChI: InChI=1/C6H13NO2.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t5-;/m0./s1
(3)InChIKey: XKZZNHPZEPVUQK-JEDNCBNOBA