Basic information
- CAS
72395-46-1- Standard SMILES
CCN(CC)CCn1ccc2ccccc21- InChIKey
WIQQTANXCCVPOY-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- N,N-Diethyl-1H-indole-1-ethanamine
- IUPAC
- N,N-diethyl-2-indol-1-ylethanamine
- English name
- N,N-diethyl-1H-indole-1-ethylamine
- Molecular formula
- C14H20N2
- Molecular weight
- 216.32
Names & synonyms
72395-46-1INDOLE, 1-(2-DIETHYLAMINOETHYL)-N,N-Diethyl-1H-indole-1-ethanamineDTXSID50222694RefChem:1090423DTXCID80145185N-(2-Diethylaminoethyl)-indoleXY6PL2XZT2NSC-82302N,N-Diethyl-1H-indole-1-ethylamineEINECS 276-637-5BRN 0163971
Show more names
NSC823021H-Indole-1-ethanamine, N,N-diethyl-UNII-XY6PL2XZT24-20-00-03187 (Beilstein Handbook Reference)SCHEMBL2036331SCHEMBL277616601H-Indole-1-ethanamine,N-diethyl-NSC 82302
Database identifiers
- CAS
72395-46-1- PubChem CID
- 51575
- DTXSID
DTXSID50222694- UNII
- XY6PL2XZT2
- EC Number
- 276-637-5
- Nikkaji
- J299.106C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 65 · 65-68 °C(Press: 15 Torr)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 10.24 · 10.24±0.25(Predicted)
- FDA UNII
- 6 PL2XZT2 · XY6PL2XZT2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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