Basic information
- CAS
37683-53-7- Standard SMILES
CN(C)CCCn1c2c(c3ccccc31)CCN(C)CC2- InChIKey
AHSCGRGHIAQEDM-UHFFFAOYSA-N- Molecular formula
- C18H27N3
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.22049787
Names & identifiers
- Preferred name
- Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-(3-dimethylaminopropyl)-3-methyl-
- IUPAC
- N,N-dimethyl-3-(3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)propan-1-amine
- English name
- 2,3,4,5-Tetrahydro-N,N,3-trimethylazepino[4,5-b]indole-6(1H)-propan-1-amine
- Molecular formula
- C18H27N3
- Molecular weight
- 285.43
Names & synonyms
37683-53-7AZEPINO(4,5-b)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-6-(3-DIMETHYLAMINOPROPYL)-3-METHYL-1,2,3,4,5,6-Hexahydro-9-(3-dimethylaminopropyl)-3-methylazepino(4,5-b)indoleDTXSID70191116RefChem:320298DTXCID80113607N,N-Dimethyl-3-(3-methyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)propan-1-amineAzepino[4,5-b]indole-6(1H)-propanamine, 2,3,4,5-tetrahydro-N,N,3-trimethyl-2,3,4,5-Tetrahydro-N,N,3-trimethylazepino[4,5-b]indole-6(1H)-propan-1-amine
Database identifiers
- CAS
37683-53-7- PubChem CID
- 37809
- DTXSID
DTXSID70191116- Nikkaji
- J54.665H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 11.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 432.5 · 432.5±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 9 · 9+-.0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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