2,3,4,5-Tetrahydro-1-benzoxepin-5-amine

HCID 15619698CAS 145348-77-2

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Basic information

Standard SMILES: NC1CCCOc2ccccc21
InChIKey: QJQARXIEBJBMRM-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol

Names & identifiers

Preferred name: 2,3,4,5-Tetrahydro-1-benzoxepin-5-amine
IUPAC: 2,3,4,5-tetrahydro-1-benzoxepin-5-amine
English name: 2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-AMINE
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

145348-77-22,3,4,5-tetrahydro-1-benzoxepin-5-amineRefChem:441667840-883-72,3,4,5-tetrahydrobenzo[b]oxepin-5-amine(S)-2,3,4,5-Tetrahydro-benzo[b]oxepin-5-ylamine2,3,4,5-Tetrahydro-benzo[b]oxepin-5-ylamine1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-1567921-77-0MFCD11206491SCHEMBL1265933QJQARXIEBJBMRM-UHFFFAOYSA-N

Show more names

2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-AMINE-HCL

VFA34877AKOS009331219SB33681SB33931SB33932DB-2267795-amino-2,3,4,5-tetrahydro-1-benzoxepineCS-0342504

Database identifiers

CAS: 145348-77-2
PubChem CID: 15619698
EC Number: 840-883-7

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 257.1 · 257.1±29.0 °C(Predicted)
Density: 1.069 · 1.069±0.06 g/cm3(Predicted)
pka: 9.4 · 9.40±0.20(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.