Indole, 3-((diethylamino)methyl)-5-nitro-
Basic information
- CAS
1147-97-3- Standard SMILES
CCN(CC)Cc1c[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
GXZBKAKDGAAGIW-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.13207679
Names & identifiers
- Preferred name
- Indole, 3-((diethylamino)methyl)-5-nitro-
- IUPAC
- N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
- English name
- N,N-Diethyl-5-nitro-1H-indole-3-methanamine
- Molecular formula
- C13H17N3O2
- Molecular weight
- 247.29
Names & synonyms
1147-97-3INDOLE, 3-((DIETHYLAMINO)METHYL)-5-NITRO-DTXSID40150836RefChem:1087307DTXCID5073327N,N-Diethyl-5-nitro-1H-indole-3-methanamineN-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamineBRN 04862453-((Diethylamino)methyl)-5-nitroindole1H-Indole-3-methanamine, N,N-diethyl-5-nitro-
Database identifiers
- CAS
1147-97-3- PubChem CID
- 14374
- DTXSID
DTXSID40150836- Nikkaji
- J41.044F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 400.6 · 400.6±30.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 15.54 · 15.54±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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