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189885-47-0 | 1H-2-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-2-(phenylmethyl)-
CAS No: 189885-47-0 Catalog No: AG002E38 MDL No:
Product Description
Catalog Number:
AG002E38
Chemical Name:
1H-2-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-2-(phenylmethyl)-
CAS Number:
189885-47-0
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
2-benzyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine
InChI:
InChI=1S/C19H23NO2/c1-21-18-11-16-9-6-10-20(13-15-7-4-3-5-8-15)14-17(16)12-19(18)22-2/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3
InChI Key:
FRXHWVJZKYQAJG-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCCc2cc1OC)Cc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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