Home Other Building Blocks [2-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methanamine

[2-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methanamine

CAS No.:
159148-84-2
Catalog Number:
AG019ME4
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
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Product Description
Catalog Number:
AG019ME4
Chemical Name:
[2-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CAS Number:
159148-84-2
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD09049560
IUPAC Name:
[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
InChI:
InChI=1S/C10H12N4/c11-5-9-3-1-2-4-10(9)6-14-8-12-7-13-14/h1-4,7-8H,5-6,11H2
InChI Key:
PUQTWRVJAQDULB-UHFFFAOYSA-N
SMILES:
NCc1ccccc1Cn1cncn1
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.234g/mol
Monoisotopic Mass:
188.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties