7-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
Basic information
- CAS
123018-28-0- Standard SMILES
CS(=O)(=O)c1ccc2c(c1)CCNCC2.Cl- InChIKey
ZUPQIIWNOVMDTG-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2S
- Average molar mass
- 261.77 g/mol
- Monoisotopic mass
- 261.0590276
Names & identifiers
- Preferred name
- 7-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
- IUPAC
- 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
- English name
- 7-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
- Molecular formula
- C11H16ClNO2S
- Molecular weight
- 261.76
Names & synonyms
123018-28-07-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochlorideRefChem:546629987-184-4MFCD283482897-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochlorideSCHEMBL10350527ZUPQIIWNOVMDTG-UHFFFAOYSA-NYEA01828AKOS026617150SY199824EN300-204117
Show more names
1H-3-Benzazepine, 2,3,4,5-tetrahydro-7-(methylsulfonyl)-, hydrochloride
Z20450349037-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepinehydrochloride7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride7-(Methylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine Hydrochloride
Database identifiers
- CAS
123018-28-0- PubChem CID
- 21242879
- EC Number
- 987-184-4
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
Loading…