CAS No.15191-21-6,N-FORMYL-L-HISTIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15191-21-6
Name:	N-FORMYL-L-HISTIDINE

Formula:	C₇H₉N₃O₃
Molecular Weight:	183.167
Synonyms:	Histidine,N-formyl-, L- (8CI);Formyl-L-histidine;N-Formyl-L-histidine;NSC 334340;(2S)-2-Carbonylamino-3-imidazol-4-ylpropanoic acid;
EINECS:	239-248-1
Density:	1.51 g/cm³
Melting Point:	202.0 to 206.0 °C
Boiling Point:	442.9 °C at 760 mmHg
Flash Point:	221.6 °C
Solubility:	almost transparency
PSA:	95.08000
LogP:	0.17820

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Specification

The L-Histidine, N-formyl-, with the CAS registry number 15191-21-6, is also known as (2S)-2-Carbonylamino-3-imidazol-4-ylpropanoic acid. Its EINECS number is 239-248-1. This chemical's molecular formula is C₇H₉N₃O₃ and molecular weight is 183.16. What's more, its systematic name is N-formyl-L-histidine.

Physical properties of L-Histidine, N-formyl- are: (1)ACD/LogP: -1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.62; (4)ACD/LogD (pH 7.4): -3.96; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.43 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 42.89 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 17×10^-24cm³; (17)Surface Tension: 72.3 dyne/cm; (18)Density: 1.431 g/cm³; (19)Flash Point: 343.6 °C; (20)Enthalpy of Vaporization: 99.93 kJ/mol; (21)Boiling Point: 644.5 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC=O)Cc1cncn1
(2)InChI: InChI=1S/C7H9N3O3/c11-4-10-6(7(12)13)1-5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1
(3)InChIKey: WFQVSLVQIFFQQN-LURJTMIESA-N