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189885-62-9 | 1H-2-Benzazepine, 2,3,4,5-tetrahydro-4-methylene-2-(phenylmethyl)-
CAS No: 189885-62-9 Catalog No: AG002E37 MDL No:
Product Description
Catalog Number:
AG002E37
Chemical Name:
1H-2-Benzazepine, 2,3,4,5-tetrahydro-4-methylene-2-(phenylmethyl)-
CAS Number:
189885-62-9
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
2-benzyl-4-methylidene-3,5-dihydro-1H-2-benzazepine
InChI:
InChI=1S/C18H19N/c1-15-11-17-9-5-6-10-18(17)14-19(12-15)13-16-7-3-2-4-8-16/h2-10H,1,11-14H2
InChI Key:
VCOBRQWZTKBIGB-UHFFFAOYSA-N
SMILES:
C=C1CN(Cc2ccccc2)Cc2c(C1)cccc2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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