2,3,4,5-Tetrahydro-1,4-benzoxazepine hydrochloride
Basic information
- CAS
21767-41-9- Standard SMILES
Cl.c1ccc2c(c1)CNCCO2- InChIKey
OWVPCUZYAAYLLV-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.0607417
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrahydro-1,4-benzoxazepine hydrochloride
- IUPAC
- 2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
- English name
- 2,3,4,5-Tetrahydro-1,4-benzoxazepine hydrochloride
- Molecular formula
- C9H12ClNO
- Molecular weight
- 185.65
Names & synonyms
2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochlorideRefChem:441660820-183-821767-41-92,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine hydrochlorideMFCD098320302,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride2,3,4,5-Tetrahydro-1,4-benzoxazepine HClSCHEMBL2106873DTXSID70623669OWVPCUZYAAYLLV-UHFFFAOYSA-NAKOS006228437
Show more names
1,4-benzoxazepine, 2,3,4,5-tetrahydro-2,3,4,5-Tetrahydro-benzo[f][1,4]oxazepine HCl3,4-DIHYDRO-2H-BENZO[F][1,4]OXAZEPINE HYDROCHLORIDE2,3,4,5-tetrahydro-1,4-Benzoxazepine hydrochloride (1:1)1,4-Benzoxazepine, 2,3,4,5-tetrahydro-, hydrochloride (1:1)2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride (SALTDATA: HCl)
BS-37497CS-0270390EN300-50573C80018F3297372,3,4,5-Tetrahydrobenzo[f][1,4]oxazepinehydrochlorideF8888-6955Z355445126
Database identifiers
- CAS
21767-41-9- PubChem CID
- 22237992
- DTXSID
DTXSID70623669- EC Number
- 820-183-8
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,3,4,5-Tetrahydro-1,4-benzoxazepine hydrochloride is a reactant used in the preparation of pyrrolidinylmethylphenylcyclobutanecarboxamides as histamine H3 receptor antagonists.
Related reactions
2 records
Compound notes
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