3-(3-Dimethylaminopropionyl)indole
Basic information
- CAS
24955-83-7- Standard SMILES
CN(C)CCC(=O)c1c[nH]c2ccccc12- InChIKey
LAHVNBMMXFLOQD-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- 3-(3-Dimethylaminopropionyl)indole
- IUPAC
- 3-(dimethylamino)-1-(1H-indol-3-yl)propan-1-one
- English name
- 3-dimethylamino-1-(1H-indol-3-yl)propan-1-one
- Molecular formula
- C13H16N2O
- Molecular weight
- 216.28
Names & synonyms
24955-83-7Indole, 3-(3-dimethylaminopropionyl)-3-(3-Dimethylaminopropionyl)indoleJ6VTL2SY1R1-Propanone, 3-(dimethylamino)-1-(1H-indol-3-yl)-NSC 806813-(beta-Dimethylaminopropionyl)-indoleBRN 01661775-Dimethylamino-3-piperidinoacetylindole3-(Dimethylamino)-1-(1H-indol-3-yl)-1-propanoneINDOLE, 5-(DIMETHYLAMINO)-3-(PIPERIDINOACETYL)-UNII-J6VTL2SY1R
Show more names
3-(β-dimethylamino)propionylindole3-(3-(DIMETHYLAMINO)PROPIONYL)INDOLE3-dimethylamino-1-(1H-indol-3-yl)propan-1-one
NSC-80681DTXSID801796671-Propanone, 3-(dimethylamino)-1-indol-3-yl-5-22-13-00047 (Beilstein Handbook Reference)RefChem:198185DTXCID401021581-Propanone, 3-(dimethylamino)-1-(1H-indol-3-yl)-(9CI)1-Propanone, 3-(dimethylamino)-1-indol-3-yl-(6CI,7CI,8CI)
Database identifiers
- CAS
24955-83-7- PubChem CID
- 32750
- DTXSID
DTXSID80179667- UNII
- J6VTL2SY1R
- EC Number
- 654-360-4
- Nikkaji
- J41.048I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 128 · 128-130 °C
- Boiling point
- 389.3 · 389.3±22.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 15.48 · 15.48±0.30(Predicted)
- FDA UNII
- 6 VTL2SY1R · J6VTL2SY1R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
1 records
Compound notes
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