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122062-68-4 | 1H-Benzotriazole-1-methanamine, α-methyl-N-phenyl-
CAS No: 122062-68-4 Catalog No: AG0016PA MDL No:
Product Description
Catalog Number:
AG0016PA
Chemical Name:
1H-Benzotriazole-1-methanamine, α-methyl-N-phenyl-
CAS Number:
122062-68-4
Molecular Formula:
C14H14N4
Molecular Weight:
238.2878
IUPAC Name:
N-[1-(benzotriazol-1-yl)ethyl]aniline
InChI:
InChI=1S/C14H14N4/c1-11(15-12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16-17-18/h2-11,15H,1H3
InChI Key:
HLIOCSMHAVCKMV-UHFFFAOYSA-N
SMILES:
CC(n1nnc2c1cccc2)Nc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.294g/mol
Monoisotopic Mass:
238.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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