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1161432-26-3 | 2-Pyrimidinemethanamine, α-phenyl-N-(phenylmethyl)-
CAS No: 1161432-26-3 Catalog No: AG000BQN MDL No:
Product Description
Catalog Number:
AG000BQN
Chemical Name:
2-Pyrimidinemethanamine, α-phenyl-N-(phenylmethyl)-
CAS Number:
1161432-26-3
Molecular Formula:
C18H17N3
Molecular Weight:
275.3477
IUPAC Name:
N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
InChI:
InChI=1S/C18H17N3/c1-3-8-15(9-4-1)14-21-17(16-10-5-2-6-11-16)18-19-12-7-13-20-18/h1-13,17,21H,14H2
InChI Key:
RYXYLOUWMHQXTQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CNC(c1ncccn1)c1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.355g/mol
Monoisotopic Mass:
275.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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