Home Other Building Blocks 3-[(1H-1,3-benzodiazol-2-yl)methyl]aniline

3-[(1H-1,3-benzodiazol-2-yl)methyl]aniline

CAS No.:
1368731-77-4
Catalog Number:
AG01C3U0
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
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Product Description
Catalog Number:
AG01C3U0
Chemical Name:
3-[(1H-1,3-benzodiazol-2-yl)methyl]aniline
CAS Number:
1368731-77-4
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD20794936
IUPAC Name:
3-(1H-benzimidazol-2-ylmethyl)aniline
InChI:
InChI=1S/C14H13N3/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9,15H2,(H,16,17)
InChI Key:
YCICADUXPJHXGT-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
256  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties