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

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

CAS No.:
953906-04-2
Catalog Number:
AG01A98D
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
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Product Description
Catalog Number:
AG01A98D
Chemical Name:
1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-amine
CAS Number:
953906-04-2
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD09735269
IUPAC Name:
1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
InChI:
InChI=1S/C10H12N4/c11-10(6-14-8-12-7-13-14)9-4-2-1-3-5-9/h1-5,7-8,10H,6,11H2
InChI Key:
FYJDNCPFUPXEJK-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)Cn1cncn1
Properties
Complexity:
168  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties