Basic information
- CAS
61-52-9- Standard SMILES
CCCN(CCC)CCc1c[nH]c2ccccc12- InChIKey
BOOQTIHIKDDPRW-UHFFFAOYSA-N- Molecular formula
- C16H24N2
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.19394877
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- N,N-Dipropyltryptamine
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
- English name
- N,N-Dipropyltryptamine
- Molecular formula
- C16H24N2
- Molecular weight
- 244.38
Names & synonyms
N,N-Dipropyltryptamine61-52-9Dipropyltryptamine1H-Indole-3-ethanamine, N,N-dipropyl-S7272VWU50DTXSID30209847RefChem:134860DTXCID80132338N-(2-(1H-indol-3-yl)ethyl)-N-propylpropan-1-amineN-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amineN-[2-(1H-indol-3-yl)ethyl]-N-propyl-propan-1-amineINDOLE, 3-(2-(DIPROPYLAMINO)ETHYL)-
Show more names
DPTTRAMP3-[2-(Dipropylamino)ethyl]-1H-indole1H-Indole-3-ethanaMine,N,N-dipropyl-2-(1H-indol-3-yl)ethyl-dipropyl-amineRecombinant Human dermatopontin/DPT Protein, His & Fc Tag
3-(2-(Dipropylamino)ethyl)indoleNCGC00247727-01DPT [Experimental Drug]BRN 0173122UNII-S7272VWU50N,N-Dipropyl-1H-indole-3-ethanamine4-22-00-04323 (Beilstein Handbook Reference)SCHEMBL1118996
Database identifiers
- CAS
61-52-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Tryptamines
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Melting point
- 174 · 174-178 °C
- Boiling point
- 387.4 · 387.4±25.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- pka
- 17.3 · 17.30±0.30(Predicted)
- InChI
- InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
- InChIKey
- BOOQTIHIKDDPRW-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(CCN(CCC)CCC)=C1
- CAS DataBase Reference
- 61 · 61-52-9(CAS DataBase Reference)
- FDA UNII
- 7272 VWU50 · S7272VWU50
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN,N-Dipropyl-1H-indole-3-ethanamine is a tryptamine designer drug used in toxicology studies which was one of the findings in an analysis of street drugs in seized material without primary reference standards.
Suppliers33 total
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
DeboraLabs+44 2032 895 122 · [email protected]
泰州布莱泽生物医药科技有限公司0523-86112008 13915404123 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shaanxi Dideu New Materials Co. Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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