CAS No.49706-31-2,Z-HIS-NHNH2 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49706-31-2
Name:	Z-HIS-NHNH2

Formula:	C₁₄H₁₇N₅O₃
Molecular Weight:	303.321
Synonyms:	Histidine,N-carboxy-, benzyl ester, hydrazide, L- (6CI);N-Benzyloxycarbonyl-L-histidinehydrazide;Na-Benzyloxycarbonyl-L-histidinehydrazide;
EINECS:	256-439-5
Density:	1.34 g/cm³
Melting Point:	171-173 °C
Boiling Point:	705.6 °C at 760 mmHg
Flash Point:	380.5 °C
PSA:	122.13000
LogP:	1.71920

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Specification

The L-Histidine,N-[(phenylmethoxy)carbonyl]-, hydrazide, with the CAS registry number 49706-31-2, is also known as Benzyl N-[2-hydrazino-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]carbamate. Its EINECS registry number is 256-439-5. This chemical's molecular formula is C₁₄H₁₇N₅O₃ and molecular weight is 303.32. What's more, both its IUPAC name and systematic name are the same which is called Benzyl [1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate.

Physical properties about L-Histidine,N-[(phenylmethoxy)carbonyl]-, hydrazide are: (1) ACD/LogP: -0.09; (2) # of Rule of 5 Violations: 1 ; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 15.74; (7) #H bond acceptors: 8; (8) #H bond donors: 5; (9)#Freely Rotating Bonds: 8; (10) Polar Surface Area: 70.91 Å²; (11)Index of Refraction: 1.617; (12) Molar Refractivity: 79.2 cm³; (13)Molar Volume: 226.3 cm³; (14) Surface Tension: 64.4 dyne/cm; (15) Density: 1.34 g/cm³; (16) Flash Point: 380.5 °C; (17) Enthalpy of Vaporization: 103.23 kJ/mol; (18) Boiling Point: 705.6 °C at 760 mmHg; (19)Vapour Pressure: 9.34E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NN)C(NC(=O)OCc1ccccc1)Cc2cncn2
(2) InChI: InChI=1/C14H17N5O3/c15-19-13(20)12(6-11-7-16-9-17-11)18-14(21)22-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,15H2,(H,16,17)(H,18,21)(H,19,20)
(3) InChIKey: BOOAASJRVPZWJW-UHFFFAOYAM