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Benzyl carbazate

CAS No.:
5331-43-1
Catalog Number:
AG0037C2
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0037C2
Chemical Name:
Benzyl carbazate
CAS Number:
5331-43-1
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00041890
IUPAC Name:
benzyl N-aminocarbamate
InChI:
InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChI Key:
RXUBZLMIGSAPEJ-UHFFFAOYSA-N
SMILES:
NNC(=O)OCc1ccccc1
EC Number:
226-230-3
UNII:
H7GM2H55TC
NSC Number:
2287
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Novel lipophilic acetohydroxamic acid derivatives based on conformationally constrained spiro carbocyclic 2,6-diketopiperazine scaffolds with potent trypanocidal activity. Journal of medicinal chemistry 20110728
Properties