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100869-95-2 | 4H-1,3-Oxazin-2-amine, 5,6-dihydro-N-1-naphthalenyl-
CAS No: 100869-95-2 Catalog No: AG00032P MDL No:
Product Description
Catalog Number:
AG00032P
Chemical Name:
4H-1,3-Oxazin-2-amine, 5,6-dihydro-N-1-naphthalenyl-
CAS Number:
100869-95-2
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
N-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazin-2-amine
InChI:
InChI=1S/C14H14N2O/c1-2-7-12-11(5-1)6-3-8-13(12)16-14-15-9-4-10-17-14/h1-3,5-8H,4,9-10H2,(H,15,16)
InChI Key:
UHPXLTPMOSMURE-UHFFFAOYSA-N
SMILES:
C1COC(=NC1)Nc1cccc2c1cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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