Indole, 3-(dimethylaminoacetyl)-
Basic information
- CAS
30256-72-5- Standard SMILES
CN(C)CC(=O)c1c[nH]c2ccccc12- InChIKey
HEQAZZLMFKEHFY-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- Indole, 3-(dimethylaminoacetyl)-
- IUPAC
- 2-(dimethylamino)-1-(1H-indol-3-yl)ethanone
- English name
- 2-(dimethylamino)-1-(1H-indol-3-yl)ethanone
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
INDOLE, 3-(DIMETHYLAMINOACETYL)-BRN 01608793-(beta-Dimethylaminoacetyl) indole30256-72-5DTXSID901843485-22-13-00036 (Beilstein Handbook Reference)RefChem:349251DTXCID001068392-(dimethylamino)-1-(1H-indol-3-yl)ethanone2-Dimethylamino-1-(1H-indol-3-yl)-ethanone2-(dimethylamino)-1-(1H-indol-3-yl)ethan-1-oneMLS000554951
Show more names
Ethanone, 2-(dimethylamino)-1-(1H-indol-3-yl)-
SCHEMBL6015920CHEMBL1721589HMS2332I20STK386419AKOS001651267CCG-110427NCGC00182603-01SMR000147068
Database identifiers
- CAS
30256-72-5- PubChem CID
- 34863
- DTXSID
DTXSID90184348- ChEMBL
CHEMBL1721589- EC Number
- 159-314-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
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)
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%)
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Related reactions
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Compound notes
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