2,3-dihydro-1H-indol-2-ylmethanol

HCID 2794664CAS 138969-57-0

Substructure search Find similar structures

Basic information

Standard SMILES: OCC1Cc2ccccc2N1
InChIKey: GRPOFAKYHPAXNP-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Names & identifiers

Preferred name: 2,3-dihydro-1H-indol-2-ylmethanol
IUPAC: 2,3-dihydro-1H-indol-2-ylmethanol
English name: 2,3-Dihydro-1H-indol-2-ylmethanol
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

2,3-dihydro-1H-indol-2-ylmethanol138969-57-027640-31-9(2,3-Dihydro-1H-indol-2-yl)methanolDTXSID40383304RefChem:442240DTXCID10334328810-508-1856-002-4indolin-2-ylmethanol(2,3-dihydro-1H-indol-2-yl)-methanol2-(Hydroxymethyl)indoline

Show more names

1H-Indole-2-methanol, 2,3-dihydro-2,3-dihydro-1h-indole-2-methanol2-IndolinemethanolMFCD062008681H-Indole-2-methanol,2,3-dihydro-2-hydroxymethylindoline2-hydroxymethyl-indolineindolin-2-ylmethan-1-ol

Database identifiers

CAS: 138969-57-0、27640-31-9
PubChem CID: 2794664
DTXSID: DTXSID40383304
ChEMBL: CHEMBL4568655
EC Number: 810-508-1、856-002-4

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 309.1 · 309.1±11.0 °C(Predicted)
Density: 1.12 · 1.120±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: solid
pka: 14.42 · 14.42±0.10(Predicted)
color: purple
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]