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CAS No.: | 10466-56-5 |
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Name: | H-ILE-NH2 HCL |
Molecular Structure: | |
Formula: | C6H15ClN2O |
Molecular Weight: | 166.651 |
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; |
Melting Point: | 232-234 °C (decomp)(Solv: acetic acid (64-19-7)) |
Boiling Point: | 286.6 °C at 760 mmHg |
Flash Point: | 127.2 °C |
Solubility: | Soluble in water |
PSA: | 69.11000 |
LogP: | 2.04770 |
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