Basic information
- CAS
34548-72-6- Standard SMILES
CCC(C)C(CN(C)C)c1cccs1- InChIKey
YWHHQMYICWAHJH-UHFFFAOYSA-N- Molecular formula
- C12H21NS
- Average molar mass
- 211.37 g/mol
- Monoisotopic mass
- 211.13947085
Names & identifiers
- Preferred name
- Thiophene, 2-(1-(sec-butyl)-2-(dimethylamino)ethyl)-
- IUPAC
- N,N,3-trimethyl-2-thiophen-2-ylpentan-1-amine
- English name
- N,N-Dimethyl-β-(1-methylpropyl)-2-thiopheneethan-1-amine
- Molecular formula
- C12H21NS
- Molecular weight
- 211.36684
Names & synonyms
34548-72-6Thiophene, 2-(1-(sec-butyl)-2-(dimethylamino)ethyl)-RefChem:1100012BRN 13677182-(1-sec-Butyl-2-(dimethylamino)ethyl)thiophenen,n,3-trimethyl-2-(thiophen-2-yl)pentan-1-amine2-Thiopheneethanamine, N,N-dimethyl-beta-(1-methylpropyl)-5-18-09-00608 (Beilstein Handbook Reference)DTXSID90956062N,N-Dimethyl-beta-(1-methylpropyl)-2-thiopheneethan-1-amineN,N-Dimethyl-β-(1-methylpropyl)-2-thiopheneethan-1-amine
Database identifiers
- CAS
34548-72-6- PubChem CID
- 214873
- DTXSID
DTXSID90956062- Nikkaji
- J48.862C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Density
- 0.9855 · 0.9855 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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