2-Thiopheneacetic acid, alpha-2-cyclohexen-1-yl-, 2-diisopropylaminoethyl ester, hydrochloride
Basic information
- CAS
102370-97-8- Standard SMILES
CC(C)N(CCOC(=O)C(c1cccs1)C1C=CCCC1)C(C)C.Cl- InChIKey
IMMNYBXOHBGVBQ-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2S
- Average molar mass
- 386 g/mol
- Monoisotopic mass
- 385.1842281
Names & identifiers
- Preferred name
- 2-Thiopheneacetic acid, alpha-2-cyclohexen-1-yl-, 2-diisopropylaminoethyl ester, hydrochloride
- IUPAC
- 2-[di(propan-2-yl)amino]ethyl 2-cyclohex-2-en-1-yl-2-thiophen-2-ylacetate;hydrochloride
Names & synonyms
beta-Diisopropylaminoethyl alpha-(2-cyclohexenyl)-alpha-(2-thienyl)-acetate hydrochloride102370-97-82-Thiopheneacetic acid, alpha-2-cyclohexen-1-yl-, 2-diisopropylaminoethyl ester, hydrochloridealpha-2-Cyclohexen-1-yl-2-thiopheneacetic acid 2-diisopropylaminoethyl ester hydrochlorideRefChem:267320DTXSID809074422-(diisopropylamino)ethyl 2-cyclohexen-1-yl(2-thienyl)acetate hydrochloride2-[Di(propan-2-yl)amino]ethyl (cyclohex-2-en-1-yl)(thiophen-2-yl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
102370-97-8- PubChem CID
- 3025263
- DTXSID
DTXSID80907442
Properties
Computed structural properties
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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