3-(Propylamino)indole
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Basic information
- CAS
1260641-20-0- Standard SMILES
CCCNc1c[nH]c2ccccc12- InChIKey
ZYVSSJIUGVLPEP-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 3-(Propylamino)indole
- IUPAC
- N-propyl-1H-indol-3-amine
- English name
- (1H-Indol-3-yl)-1-propanaMine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
3-(Propylamino)indoleN-propyl-1H-indol-3-amine1260641-20-0SCHEMBL4724219SCHEMBL7507194SCHEMBL29611671MFCD09743696AKOS0063314921H-Indol-3-amine, N-propyl-
Database identifiers
- CAS
1260641-20-0- PubChem CID
- 21703089
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 357.9 · 357.9±15.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 17 · 17+-.0.30(Predicted)
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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