Basic information
- CAS
3414-66-2- Standard SMILES
CCCN(CCC)Cc1c[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
SDTHSDKPFDQUNP-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2
- Average molar mass
- 275.35 g/mol
- Monoisotopic mass
- 275.16337692
Names & identifiers
- Preferred name
- Indole, 3-((dipropylamino)methyl)-5-nitro-
- IUPAC
- N-[(5-nitro-1H-indol-3-yl)methyl]-N-propylpropan-1-amine
- English name
- 5-Nitro-N,N-dipropyl-1H-indole-3-methanamine
- Molecular formula
- C15H21N3O2
- Molecular weight
- 275.35
Names & synonyms
INDOLE, 3-((DIPROPYLAMINO)METHYL)-5-NITRO-3414-66-2DTXSID70187731RefChem:1087311DTXCID30110222BRN 04240255-Nitro-3-(dipropylaminomethyl)indole3-((Dipropylamino)methyl)-5-nitroindoleN-[(5-nitro-1H-indol-3-yl)methyl]-N-propylpropan-1-amine5-Nitro-N,N-dipropyl-1H-indole-3-methanamine1H-Indole-3-methanamine, 5-nitro-N,N-dipropyl-
Database identifiers
- CAS
3414-66-2- PubChem CID
- 18883
- DTXSID
DTXSID70187731- Nikkaji
- J41.054C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 424.4 · 424.4±30.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 15.76 · 15.76±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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