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88374-41-8 | 2-Pyrimidinamine, N-[1-(1-naphthalenyl)ethyl]-5-nitro-
CAS No: 88374-41-8 Catalog No: AG004MA3 MDL No:
Product Description
Catalog Number:
AG004MA3
Chemical Name:
2-Pyrimidinamine, N-[1-(1-naphthalenyl)ethyl]-5-nitro-
CAS Number:
88374-41-8
Molecular Formula:
C16H14N4O2
Molecular Weight:
294.3080
IUPAC Name:
N-(1-naphthalen-1-ylethyl)-5-nitropyrimidin-2-amine
InChI:
InChI=1S/C16H14N4O2/c1-11(19-16-17-9-13(10-18-16)20(21)22)14-8-4-6-12-5-2-3-7-15(12)14/h2-11H,1H3,(H,17,18,19)
InChI Key:
VULJFPIYHPPGRD-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1cccc2)Nc1ncc(cn1)[N+](=O)[O-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.314g/mol
Monoisotopic Mass:
294.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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