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1229622-03-0 | 1H-3-Benzazepin-1-ol, 2,3,4,5-tetrahydro-7-methoxy-
CAS No: 1229622-03-0 Catalog No: AG000JUD MDL No:
Product Description
Catalog Number:
AG000JUD
Chemical Name:
1H-3-Benzazepin-1-ol, 2,3,4,5-tetrahydro-7-methoxy-
CAS Number:
1229622-03-0
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
InChI:
InChI=1S/C11H15NO2/c1-14-9-2-3-10-8(6-9)4-5-12-7-11(10)13/h2-3,6,11-13H,4-5,7H2,1H3
InChI Key:
CJQZSNACIZWXEQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCNCC2O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Design, Synthesis, and Biological Evaluation of 3-Benzazepin-1-ols as NR2B-Selective NMDA Receptor Antagonists. | ChemMedChem 20100503 |
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