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85666-15-5 | 4-(Pyridin-3-ylmethyl)aniline
CAS No: 85666-15-5 Catalog No: AG0050IL MDL No:MFCD08447085
Product Description
Catalog Number:
AG0050IL
Chemical Name:
4-(Pyridin-3-ylmethyl)aniline
CAS Number:
85666-15-5
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD08447085
IUPAC Name:
4-(pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H12N2/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h1-7,9H,8,13H2
InChI Key:
XYZKXQHSXCNURY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1cccnc1
Properties
Complexity:
162
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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