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L-Isoleucinamide hydrochloride

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Name

L-Isoleucinamide hydrochloride

EINECS N/A
CAS No. 10466-56-5 Density N/A
PSA 69.11000 LogP 2.04770
Solubility Soluble in water Melting Point 232-234 °C (decomp)(Solv: acetic acid (64-19-7))
Formula C6H15ClN2O Boiling Point 286.6 °C at 760 mmHg
Molecular Weight 166.651 Flash Point 127.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10466-56-5 (H-ILE-NH2 HCL) Hazard Symbols N/A
Synonyms

Isoleucinamide,hydrochloride (7CI,8CI);Pentanamide, 2-amino-3-methyl-, monohydrochloride, (2S,3S)-(9CI);Pentanamide, 2-amino-3-methyl-, monohydrochloride, [S-(R*,R*)]-;H-Ile-NH2.HCl;H-Ile-NH2·HCl;

 

L-Isoleucinamide hydrochloride Specification

The Pentanamide,2-amino-3-methyl-, hydrochloride (1:1), (2S,3S)-, with CAS registry number 10466-56-5, belongs to the following product categories: (1)Amino Acids and Derivatives; (2)Amino Acid Derivatives; (3)Amino hydrochloride; (4)Amino Acids; (5)I - Z; (6)Modified Amino Acids. It has the systematic name of L-isoleucinamide hydrochloride.

Physical properties of Pentanamide,2-amino-3-methyl-, hydrochloride (1:1), (2S,3S)-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 23.55 Å2; (6)Flash Point: 127.2 °C; (7)Enthalpy of Vaporization: 53.63 kJ/mol; (8)Boiling Point: 286.6 °C at 760 mmHg; (9)Vapour Pressure: 0.00199 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N)[C@@H](N)[C@@H](C)CC
(2)InChI: InChI=1/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1
(3)InChIKey: SAOZPTBFWAEJQL-FHAQVOQBBD
(4)Std. InChI: InChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1
(5)Std. InChIKey: SAOZPTBFWAEJQL-FHAQVOQBSA-N

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