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1092350-29-2 | 4-[1,2,4]Triazol-4-yl-benzylamine
CAS No: 1092350-29-2 Catalog No: AG01FEAJ MDL No:
Product Description
Catalog Number:
AG01FEAJ
Chemical Name:
4-[1,2,4]Triazol-4-yl-benzylamine
CAS Number:
1092350-29-2
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
IUPAC Name:
[4-(1,2,4-triazol-4-yl)phenyl]methanamine
InChI:
InChI=1S/C9H10N4/c10-5-8-1-3-9(4-2-8)13-6-11-12-7-13/h1-4,6-7H,5,10H2
InChI Key:
DEVKNJWBROCLCV-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)n1cnnc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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