1H-Imidazole-5-propanamide, α-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(αS)- supplier

Name
H-HIS-AMC
EINECS
CAS No. 191723-64-5
Density 1.413 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₆N₄O₃
Boiling Point 696 °C at 760 mmHg
Molecular Weight 312.32
Flash Point 374.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-His-AMC;1H-Imidazole-4-propanamide,a-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(S)-;
PSA 114.01000
LogP 2.10630

1H-Imidazole-5-propanamide, α-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(αS)- Specification

The 1H-Imidazole-5-propanamide, α-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (αS)-, with the CAS registry number 191723-64-5, is also known as H-His-AMC. It belongs to the product category of Other Enzyme Inhibitors and Activators. This chemical's molecular formula is C₁₆H₁₆N₄O₃ and molecular weight is 312.32. What's more, its systematic name is N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-histidinamide. In addition, it must be stored at -15 °C.

Physical properties about 1H-Imidazole-5-propanamide, α-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (αS)- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -0.56; (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): 7.54; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 67.67 Å²; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 83.88 cm³; (15)Molar Volume: 220.9 cm³; (16)Polarizability: 33.25×10^-24 cm³; (17)Surface Tension: 75.9 dyne/cm; (18)Density: 1.413 g/cm³; (19)Flash Point: 374.8 °C; (20)Enthalpy of Vaporization: 101.94 kJ/mol; (21)Boiling Point: 696 °C at 760 mmHg; (22)Vapour Pressure: 3.19E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)[C@@H](N)Cc3cncn3
(2) InChI: InChI=1/C16H16N4O3/c1-9-4-15(21)23-14-6-10(2-3-12(9)14)20-16(22)13(17)5-11-7-18-8-19-11/h2-4,6-8,13H,5,17H2,1H3,(H,18,19)(H,20,22)/t13-/m0/s1
(3) InChIKey: YSUYDFDITKBMJW-ZDUSSCGKBK

Product Name

H-HIS-AMC

1H-Imidazole-5-propanamide, α-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(αS)- Specification

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