Home Other Building Blocks 4-(1H-1,3-benzodiazol-1-ylmethyl)aniline

4-(1H-1,3-benzodiazol-1-ylmethyl)aniline

CAS No.:
142335-67-9
Catalog Number:
AG01A7PR
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
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Product Description
Catalog Number:
AG01A7PR
Chemical Name:
4-(1H-1,3-benzodiazol-1-ylmethyl)aniline
CAS Number:
142335-67-9
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD09742949
IUPAC Name:
4-(benzimidazol-1-ylmethyl)aniline
InChI:
InChI=1S/C14H13N3/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9,15H2
InChI Key:
NONUWTMEUPNZCI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1cnc2c1cccc2
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties