Indole, 3-(2-amino-3-ethylaminopropyl)-, (S)-
Basic information
- CAS
53758-92-2- Standard SMILES
CCNC[C@@H](N)Cc1c[nH]c2ccccc12- InChIKey
BIGWWNUYZKXPRP-NSHDSACASA-N- Molecular formula
- C13H19N3
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.15789762
Names & identifiers
- Preferred name
- Indole, 3-(2-amino-3-ethylaminopropyl)-, (S)-
- IUPAC
- (2S)-1-N-ethyl-3-(1H-indol-3-yl)propane-1,2-diamine
Names & synonyms
INDOLE, 3-(2-AMINO-3-ETHYLAMINOPROPYL)-, (S)-(S)-3-(2-Amino-3-(ethylamino)propyl)indole(S)-N(1)-Ethyl-3-(1H-indol-3-yl)-1,2-propanediamine1,2-Propanediamine, N(1)-ethyl-3-(1H-indol-3-yl)-, (S)-DTXSID1020203353758-92-2RefChem:349227DTXCID101245241,2-Propanediamine, N(1)-ethyl-3-(1H-indol-3-yl)-, (S)-(9CI)(2S)-N~1~-Ethyl-3-(1H-indol-3-yl)propane-1,2-diamine
Database identifiers
- CAS
53758-92-2- PubChem CID
- 40886
- DTXSID
DTXSID10202033- Nikkaji
- J2.950.437G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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