Home Other Building Blocks (1-phenyl-1H-1,2,3-triazol-5-yl)methanamine

(1-phenyl-1H-1,2,3-triazol-5-yl)methanamine

CAS No.:
1267880-41-0
Catalog Number:
AG01ALQQ
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
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Product Description
Catalog Number:
AG01ALQQ
Chemical Name:
(1-phenyl-1H-1,2,3-triazol-5-yl)methanamine
CAS Number:
1267880-41-0
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD19268878
IUPAC Name:
(3-phenyltriazol-4-yl)methanamine
InChI:
InChI=1S/C9H10N4/c10-6-9-7-11-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChI Key:
GKZAYLJZSNPSNH-UHFFFAOYSA-N
SMILES:
NCc1cnnn1c1ccccc1
Properties
Complexity:
156  
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:
0.2  
Properties