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

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

CAS No.:
1423027-75-1
Catalog Number:
AG01A2QY
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
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Product Description
Catalog Number:
AG01A2QY
Chemical Name:
1-[4-(1H-1,2,3-triazol-1-yl)phenyl]ethan-1-amine
CAS Number:
1423027-75-1
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD22578709
IUPAC Name:
1-[4-(triazol-1-yl)phenyl]ethanamine
InChI:
InChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-6-12-13-14/h2-8H,11H2,1H3
InChI Key:
JIVBNQRFYJHWPQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)n1ccnn1)N
Properties
Complexity:
177  
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:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties