Home Other Building Blocks [3-(4H-1,2,4-triazol-3-yl)phenyl]methanamine hydrochloride

[3-(4H-1,2,4-triazol-3-yl)phenyl]methanamine hydrochloride

CAS No.:
1311313-97-9
Catalog Number:
AG01AIKL
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
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Product Description
Catalog Number:
AG01AIKL
Chemical Name:
[3-(4H-1,2,4-triazol-3-yl)phenyl]methanamine hydrochloride
CAS Number:
1311313-97-9
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
MDL Number:
MFCD18917300
IUPAC Name:
[3-(1H-1,2,4-triazol-5-yl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C9H10N4.ClH/c10-5-7-2-1-3-8(4-7)9-11-6-12-13-9;/h1-4,6H,5,10H2,(H,11,12,13);1H
InChI Key:
YFJIAWBAAOBFCP-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)c1nnc[nH]1.Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
210.665g/mol
Monoisotopic Mass:
210.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties