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

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

CAS No.:
1432680-52-8
Catalog Number:
AG01A53Q
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
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Product Description
Catalog Number:
AG01A53Q
Chemical Name:
phenyl(4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CAS Number:
1432680-52-8
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
MDL Number:
MFCD24369228
IUPAC Name:
phenyl(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
InChI:
InChI=1S/C9H10N4.ClH/c10-8(9-11-6-12-13-9)7-4-2-1-3-5-7;/h1-6,8H,10H2,(H,11,12,13);1H
InChI Key:
DABFFDNQUGVZSG-UHFFFAOYSA-N
SMILES:
NC(c1nnc[nH]1)c1ccccc1.Cl
Properties
Complexity:
156  
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:
1  
Undefined Bond Stereocenter Count:
0
Properties