5-(Benzyloxy)-2,3-dihydro-1H-indole

HCID 16794881CAS 92818-36-5

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(COc2ccc3c(c2)CCN3)cc1
InChIKey: NHULNFPNWXCXDI-UHFFFAOYSA-N
Molecular formula: C15H15NO
Average molar mass: 225.28 g/mol
Monoisotopic mass: 225.1153641

Names & identifiers

Preferred name: 5-(Benzyloxy)-2,3-dihydro-1H-indole
IUPAC: 5-phenylmethoxy-2,3-dihydro-1H-indole
English name: 5-Benzyloxy-2,3-dihydro-1H-indole
Molecular formula: C15H15NO
Molecular weight: 225.29

Names & synonyms

92818-36-55-(benzyloxy)-2,3-dihydro-1H-indoleDTXSID30588624RefChem:300219DTXCID805393885-(Benzyloxy)indoline5-Benzyloxy-2,3-dihydro-1H-indole5-Benzyloxyindoline5-phenylmethoxy-2,3-dihydro-1H-indoleMFCD073716275-benzyloxy-indolineSCHEMBL1366136

Show more names

1H-Indole, 2,3-dihydro-5-(phenylmethoxy)-

SCHEMBL3875255NHULNFPNWXCXDI-UHFFFAOYSA-NSDA81836AKOS022175913SB39992AS-36259SY065929DB-079421

Database identifiers

CAS: 92818-36-5
PubChem CID: 16794881
DTXSID: DTXSID30588624
EC Number: 154-664-2

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 237

Physicochemical properties

Boiling point: 400 · 400.0±31.0 °C(Predicted)
Density: 1.13 · 1.130±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 5.85 · 5.85±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313