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254980-19-3

254980-19-3 | benzyl N-[1-(hydrazinecarbonyl)-2-(1H-imidazol-5-yl)ethyl]carbamate

CAS No: 254980-19-3 Catalog No: AG00IWJP MDL No:MFCD00508155

Product Description

Catalog Number:
AG00IWJP
Chemical Name:
benzyl N-[1-(hydrazinecarbonyl)-2-(1H-imidazol-5-yl)ethyl]carbamate
CAS Number:
254980-19-3
Molecular Formula:
C14H17N5O3
Molecular Weight:
303.3165
MDL Number:
MFCD00508155
IUPAC Name:
benzyl N-[1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/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)
InChI Key:
BOOAASJRVPZWJW-UHFFFAOYSA-N
SMILES:
NNC(=O)C(Cc1cnc[nH]1)NC(=O)OCc1ccccc1
NSC Number:
118527

Properties

Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.133g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
303.322g/mol
Monoisotopic Mass:
303.133g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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