Basic information
- CAS
85175-85-5- Standard SMILES
COc1ccc2c(c1)CC(=O)NC=C2- InChIKey
OQNNFDKEVAURGV-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 8-methoxy-2,3-dihydro-1H-3-benzazepin-2-one
- IUPAC
- 8-methoxy-1,3-dihydro-3-benzazepin-2-one
- English name
- 8-Methoxy-1,3-dihydro-2H-3-benzazepin-2-one
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
8-methoxy-2,3-dihydro-1H-3-benzazepin-2-oneRefChem:548200824-630-885175-85-58-Methoxy-1H-benzo[d]azepin-2(3H)-one8-methoxy-1,3-dihydro-2H-3-benzazepin-2-one8-methoxy-1,3-dihydro-3-benzazepin-2-oneMFCD056689138-methoxy-1H,3H-benzo[d]azepin-2-one8-Methoxy-1,3-dihydro-benzo[d]azepin-2-one(Z)-8-Methoxy-1H-benzo[d]azepin-2(3H)-one8-methoxy-1,3-dihydro-2H-benzo[d]azepin-2-one
Show more names
2H-3-BENZAZEPIN-2-ONE, 1,3-DIHYDRO-8-METHOXY-8-METHOXY-1H-BENZO[D]AZEPIN-2(3H)-ONE(WXC05716)
MLS000763475SCHEMBL227653SCHEMBL2913238CHEMBL1382557SCHEMBL30468397DTXSID10400971OQNNFDKEVAURGV-UHFFFAOYSA-NHMS2732G19
Database identifiers
- CAS
85175-85-5- PubChem CID
- 4220093
- DTXSID
DTXSID10400971- ChEMBL
CHEMBL1382557- EC Number
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Solubility>28.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
18 records
Compound notes
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