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53114-00-4 | 2-[(pyridin-2-yl)methyl]aniline
CAS No: 53114-00-4 Catalog No: AG01BG15 MDL No:MFCD21234598
Product Description
Catalog Number:
AG01BG15
Chemical Name:
2-[(pyridin-2-yl)methyl]aniline
CAS Number:
53114-00-4
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD21234598
IUPAC Name:
2-(pyridin-2-ylmethyl)aniline
InChI:
InChI=1S/C12H12N2/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-8H,9,13H2
InChI Key:
BWSLINKKCILOEB-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Cc1ccccn1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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