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139400-79-6 | 2,4-Pyrimidinediamine, 6-(1-naphthalenyl)-
CAS No: 139400-79-6 Catalog No: AG001AYS MDL No:
Product Description
Catalog Number:
AG001AYS
Chemical Name:
2,4-Pyrimidinediamine, 6-(1-naphthalenyl)-
CAS Number:
139400-79-6
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
IUPAC Name:
6-naphthalen-1-ylpyrimidine-2,4-diamine
InChI:
InChI=1S/C14H12N4/c15-13-8-12(17-14(16)18-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H4,15,16,17,18)
InChI Key:
ZEAZGTREIAIRQJ-UHFFFAOYSA-N
SMILES:
Nc1nc(N)nc(c1)c1cccc2c1cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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