Basic information
- CAS
5925-74-6- Standard SMILES
Cc1ccc(C(=O)NCCN(C)C)cc1- InChIKey
USQYCMFPLFGORN-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- n-[2-(Dimethylamino)ethyl]-4-methylbenzamide
- IUPAC
- N-[2-(dimethylamino)ethyl]-4-methylbenzamide
- English name
- Phenylthioacetic acid S-methyl ester
- Molecular formula
- C9H10OS
- Molecular weight
- 166.24
Names & synonyms
n-[2-(dimethylamino)ethyl]-4-methylbenzamide5925-74-6N-(2-DIMETHYLAMINOETHYL)-4-METHYL-BENZAMIDECBMicro_008353Cambridge id 5925746Oprea1_731155SCHEMBL6207528SCHEMBL15209143DTXSID30358102SMSF0009732Phenylthioacetic acid S-methyl esterAKOS002956699
Show more names
Benzenethioacetic acid S-methyl esterBenzeneethanethioic acid, S-methyl ester
CB10943BIM-0008513.P001
Database identifiers
- CAS
5925-74-6- PubChem CID
- 877368
- DTXSID
DTXSID30358102
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 126 °C · 126 °C(Press: 11 Torr)
- Density
- 0.9952 g/cm3 · 0.9952 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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