7,8-Dimethoxy-1,3,4,5-tetrahydrobenzo[d]azepin-2-one - CAS 20925-64-8
Catalog: |
BB016432 |
Product Name: |
7,8-Dimethoxy-1,3,4,5-tetrahydrobenzo[d]azepin-2-one |
CAS: |
20925-64-8 |
Synonyms: |
7,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one; 7,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one |
IUPAC Name: | 7,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one |
Description: | 7,8-Dimethoxy-1,3,4,5-tetrahydrobenzo[d]azepin-2-one (CAS# 20925-64-8) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | COC1=C(C=C2CC(=O)NCCC2=C1)OC |
InChI: | InChI=1S/C12H15NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h5-6H,3-4,7H2,1-2H3,(H,13,14) |
InChI Key: | RXKTVGMZJMDNLF-UHFFFAOYSA-N |
Boiling Point: | 438.2 °C at 760 mmHg |
Density: | 1.137 g/cm3 |
Appearance: | Solid |
LogP: | 1.24740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019202611-A1 | An improved process for the synthesis of ivabradine and its pharmaceutically acceptable salts | 20180421 |
EP-3558948-A1 | New salt of ivabradine and uses thereof | 20161220 |
WO-2018115181-A1 | New salt of ivabradine and uses thereof | 20161220 |
EP-3221297-A1 | Process for the synthesis of benzazepine derivatives | 20141119 |
WO-2016079684-A1 | Process for the synthesis of benzazepine derivatives | 20141119 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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