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78500-77-3 | 2-(Pyridin-3-ylmethyl)aniline
CAS No: 78500-77-3 Catalog No: AG00ICY8 MDL No:MFCD20715075
Product Description
Catalog Number:
AG00ICY8
Chemical Name:
2-(Pyridin-3-ylmethyl)aniline
CAS Number:
78500-77-3
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD20715075
IUPAC Name:
2-(pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H12N2/c13-12-6-2-1-5-11(12)8-10-4-3-7-14-9-10/h1-7,9H,8,13H2
InChI Key:
LFWROEKDZROIEU-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Cc1cccnc1
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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