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

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

CAS No.:
1607291-00-8
Catalog Number:
AG01ACQI
Molecular Formula:
C10H13ClN4
Molecular Weight:
224.6900
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Product Description
Catalog Number:
AG01ACQI
Chemical Name:
1-phenyl-2-(4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CAS Number:
1607291-00-8
Molecular Formula:
C10H13ClN4
Molecular Weight:
224.6900
MDL Number:
MFCD27500696
IUPAC Name:
1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H12N4.ClH/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8;/h1-5,7,9H,6,11H2,(H,12,13,14);1H
InChI Key:
JVTREJTURHQEEI-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)Cc1nnc[nH]1.Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
224.692g/mol
Monoisotopic Mass:
224.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties