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177976-49-7 | [1,1'-Biphenyl]-3-methanamine
CAS No: 177976-49-7 Catalog No: AG0025P8 MDL No:MFCD00270124
Product Description
Catalog Number:
AG0025P8
Chemical Name:
[1,1'-Biphenyl]-3-methanamine
CAS Number:
177976-49-7
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
MDL Number:
MFCD00270124
IUPAC Name:
(3-phenylphenyl)methanamine
InChI:
InChI=1S/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2
InChI Key:
WKHABRRJMGVELW-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)c1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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