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Home Nitros N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-butyl-3-nitroaniline

N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-butyl-3-nitroaniline

CAS No.:
129882-03-7
Catalog Number:
AG01F6U8
Molecular Formula:
C17H19N5O2
Molecular Weight:
325.3651
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
tech
1 week
United States
$267
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Product Description
Catalog Number:
AG01F6U8
Chemical Name:
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-butyl-3-nitroaniline
CAS Number:
129882-03-7
Molecular Formula:
C17H19N5O2
Molecular Weight:
325.3651
MDL Number:
MFCD00961724
IUPAC Name:
N-(benzotriazol-1-ylmethyl)-N-butyl-3-nitroaniline
InChI:
InChI=1S/C17H19N5O2/c1-2-3-11-20(14-7-6-8-15(12-14)22(23)24)13-21-17-10-5-4-9-16(17)18-19-21/h4-10,12H,2-3,11,13H2,1H3
InChI Key:
NBJVMRXYTKXOLG-UHFFFAOYSA-N
SMILES:
CCCCN(c1cccc(c1)[N+](=O)[O-])Cn1nnc2c1cccc2
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.154g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.372g/mol
Monoisotopic Mass:
325.154g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties