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158798-75-5 | 5H-Dibenz[b,f]azepine-2,10-diol, 5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-
CAS No: 158798-75-5 Catalog No: AG001QVE MDL No:
Product Description
Catalog Number:
AG001QVE
Chemical Name:
5H-Dibenz[b,f]azepine-2,10-diol, 5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-
CAS Number:
158798-75-5
Molecular Formula:
C20H26N2O2
Molecular Weight:
326.4326
IUPAC Name:
11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepine-3,6-diol
InChI:
InChI=1S/C20H26N2O2/c1-14(12-21(2)3)13-22-18-9-8-16(23)10-15(18)11-20(24)17-6-4-5-7-19(17)22/h4-10,14,20,23-24H,11-13H2,1-3H3
InChI Key:
YJZVBKBRKRTYTA-UHFFFAOYSA-N
SMILES:
CN(CC(CN1c2ccc(cc2CC(c2c1cccc2)O)O)C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.44g/mol
Monoisotopic Mass:
326.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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