Basic information
- CAS
339055-52-6- Standard SMILES
CC(C)(CN)c1ccsc1- InChIKey
LRJHOKBSEMKQKZ-UHFFFAOYSA-N- Molecular formula
- C8H13NS
- Average molar mass
- 155.26 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-2-(thien-3-yl)propylamine
- IUPAC
- 2-methyl-2-thiophen-3-ylpropan-1-amine
- English name
- 3-Thiopheneethanamine, -bta-,-bta--dimethyl-
- Molecular formula
- C8H13NS
- Molecular weight
- 155.26
Names & synonyms
339055-52-62-Methyl-2-(thien-3-yl)propylamine[2-methyl-2-(3-thienyl)propyl]amineSCHEMBL550395LRJHOKBSEMKQKZ-UHFFFAOYSA-N2-methyl-2-thiophen-3-yl-propylamineAKOS0175296572-methyl-2-thiophene-3-yl-propylamine2-methyl-2-thiophen-3-ylpropan-1-amine2-methyl-2-(thiophen-3-yl)propan-1-amineEN300-235559F2189-0793
Show more names
3-Thiopheneethanamine, β,β-dimethyl-3-Thiopheneethanamine, -bta-,-bta--dimethyl-
Database identifiers
- CAS
339055-52-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 225.4 · 225.4±15.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.10(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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