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10466-61-2

Basic Information
CAS No.: 10466-61-2
Name: L-Leucinamide hydrochloride
Article Data: 7
Molecular Structure:
Molecular Structure of 10466-61-2 (L-Leucinamide hydrochloride)
Formula: C6H14N2O.HCl
Molecular Weight: 166.651
Synonyms: Leucinamide,monohydrochloride, L- (6CI,8CI);Pentanamide, 2-amino-4-methyl-,monohydrochloride, (2S)- (9CI);Pentanamide, 2-amino-4-methyl-,monohydrochloride, (S)-;(S)-2-Amino-4-methylvaleramide monohydrochloride;(S)-Leucinamide hydrochloride;L-Leucinamidemonohydrochloride;Leucinamide hydrochloride;Leucine amide hydrochloride;NSC83635;
EINECS: 233-952-2
Density: 0.98g/cm3
Melting Point: 254-256 °C
Boiling Point: 250.9 °C at 760 mmHg
Flash Point: 105.6 °C
Solubility: very faint turbidity in Water
Appearance: White solid.
Safety: 22-24/25
PSA: 69.11000
LogP: 2.04770
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Specification

The Pentanamide,2-amino-4-methyl-, hydrochloride (1:1), (2S)-, with CAS registry number 10466-61-2, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Amino Acids; (3)Leucine [Leu, L]; (4)Amino Acid Derivatives; (5)Leucine; (6)Peptide Synthesis. It has the systematic name of L-leucinamide hydrochloride. This chemical should be stored at the room temperature. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Pentanamide,2-amino-4-methyl-, hydrochloride (1:1), (2S)-: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.55; (4)ACD/LogD (pH 7.4): -0.84; (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): 4.29; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Enthalpy of Vaporization: 48.82 kJ/mol; (14)Vapour Pressure: 0.0211 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N)[C@@H](N)CC(C)C
(2)InChI: InChI=1/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t5-;/m0./s1
(3)InChIKey: VSPSRRBIXFUMOU-JEDNCBNOBU
(4)Std. InChI: InChI=1S/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t5-;/m0./s1
(5)Std. InChIKey: VSPSRRBIXFUMOU-JEDNCBNOSA-N