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Home Other Building Blocks 1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

CAS No.:
19213-23-1
Catalog Number:
AG002FO3
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
1 week
United States
$364
- +
Product Description
Catalog Number:
AG002FO3
Chemical Name:
1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-
CAS Number:
19213-23-1
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD00449257
IUPAC Name:
1-(pyrrolidin-1-ylmethyl)benzotriazole
InChI:
InChI=1S/C11H14N4/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChI Key:
URXUWDKSGHWDFQ-UHFFFAOYSA-N
SMILES:
C1CCN(C1)Cn1nnc2c1cccc2
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties