CAS 17775-01-8 2,3,4,5-Tetrahydro-1,4-benzoxazepine (HCID 21882775)

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Basic information

CAS: 17775-01-8
Standard SMILES: c1ccc2c(c1)CNCCO2
InChIKey: HDVHFHONOKCUHQ-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Names & identifiers

Preferred name: 2,3,4,5-Tetrahydro-1,4-benzoxazepine
IUPAC: 2,3,4,5-tetrahydro-1,4-benzoxazepine
English name: 2,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

17775-01-82,3,4,5-tetrahydro-1,4-benzoxazepineDTXSID90619367RefChem:441659DTXCID90570121818-399-22,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine1,4-Benzoxazepine, 2,3,4,5-tetrahydro-MFCD086697652,3,4,5-Tetrahydro-benzo[f][1,4]oxazepineCHEMBL1184203,4-Dihydro-2H-benzo[f][1,4]oxazepine

Show more names

2,3,4,5-tetrahydro-1,4-benzoxazepine(SALTDATA: FREE)

SCHEMBL4009641,4-Benzoxazepine, 2,3,4,5-tetrahydro-, hydrochloride9WB7HBE4XUSCHEMBL519470SCHEMBL519471SCHEMBL578499SCHEMBL1384971SCHEMBL3871811

Database identifiers

CAS: 17775-01-8
PubChem CID: 21882775
DTXSID: DTXSID90619367
ChEMBL: CHEMBL118420
UNII: 9WB7HBE4XU
EC Number: 818-399-2
Nikkaji: J775.075G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

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.