Basic information
- CAS
92292-25-6- Standard SMILES
CCN(CC)CC(=O)c1c[nH]c2ccccc12- InChIKey
KEFPCGXODAAGLR-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- Indole, 3-((diethylamino)acetyl)-
- IUPAC
- 2-(diethylamino)-1-(1H-indol-3-yl)ethanone
- English name
- 2-(diethylamino)-1-(1H-indol-3-yl)ethanone
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
92292-25-63-((Diethylamino)acetyl)indoleINDOLE, 3-((DIETHYLAMINO)ACETYL)-2-Diethylamino-1-(1H-indol-3-yl)-ethanoneDTXSID70238954RefChem:790956DTXCID20161445684-957-52-(diethylamino)-1-(1H-indol-3-yl)ethanone2-(diethylamino)-1-(1H-indol-3-yl)ethan-1-oneMLS000072241SCHEMBL6015750
Show more names
Ethanone, 2-(diethylamino)-1-(1H-indol-3-yl)-
CHEMBL1391150HMS1679F02HMS2176M06STK386420AKOS000562454SMR0000088742-(diethylamino)-1-indol-3-ylethan-1-oneST50002531
Database identifiers
- CAS
92292-25-6- PubChem CID
- 56375
- DTXSID
DTXSID70238954- ChEMBL
CHEMBL1391150- EC Number
- 684-957-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 139 · 139-141 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 395.9 · 395.9±22.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- pka
- 15.32 · 15.32±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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