Basic information
- CAS
14008-96-9- Standard SMILES
c1ccc2c(CCN3CCCC3)c[nH]c2c1- InChIKey
CVTZCBLFHNGYDQ-UHFFFAOYSA-N- Molecular formula
- C14H18N2
- Average molar mass
- 214.31 g/mol
- Monoisotopic mass
- 214.14699858
Names & identifiers
- Preferred name
- Pyr-T
- IUPAC
- 3-(2-pyrrolidin-1-ylethyl)-1H-indole
- English name
- 1H-Indole, 3-[2-(1-pyrrolidinyl)ethyl]-
- Molecular formula
- C14H18N2
- Molecular weight
- 214.31
Names & synonyms
Pyr-TBRN 01663993-(2-(1-Pyrrolidinyl)ethyl)indoleVZ689W7HWX3-[2-(1-pyrrolidinyl)ethyl]-1H-indole1H-Indole, 3-(2-(1-pyrrolidinyl)ethyl)-3-(2-(Pyrrolidin-1-yl)ethyl)-1H-indoleDTXSID001612265-22-10-00057 (Beilstein Handbook Reference)3-[2-(Pyrrolidin-1-yl)ethyl]-1H-indole3-(2-(1-PYRROLIDINYL)ETHYL)-1H-INDOLERefChem:202778
Show more names
1H-Indole, 3-[2-(1-pyrrolidinyl)ethyl]-
DTXCID40837171H-Indole, 3-(2-(1-pyrrolidinyl)ethyl)-(9CI)3-(2-Pyrrolidinylethyl)indole14008-96-9INDOLE, 3-(2-(1-PYRROLIDINYL)ETHYL)-UNII-VZ689W7HWXN,N-tetramethylenetryptamineSCHEMBL733629
Database identifiers
- CAS
14008-96-9- PubChem CID
- 26393
- DTXSID
DTXSID00161226- UNII
- VZ689W7HWX
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 109 · 109-110 °C (sublm)
- Boiling point
- 371.6 · 371.6±17.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- pka
- 17.23 · 17.23±0.30(Predicted)
- FDA UNII
- 689 W7HWX · VZ689W7HWX
Chemistry & industry
Applications
Uses3-[2-(1-Pyrrolidinyl)ethyl]-1H-indole is a useful research chemical comound used in the engineering of an enantioselective amine oxidase for the synthesis of pharmaceutical building blocks and alkaloid natural products.
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
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