3-chloro-N,N-dipropylbenzamide
Basic information
- CAS
17271-10-2- Standard SMILES
CCCN(CCC)C(=O)c1cccc(Cl)c1- InChIKey
MRHRRTXQAOTSRF-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- 3-chloro-N,N-dipropylbenzamide
- IUPAC
- 3-chloro-N,N-dipropylbenzamide
- English name
- 3-Chloro-N,N-di-n-propylbenzaMide, 97%
- Molecular formula
- C13H18ClNO
- Molecular weight
- 239.74
Names & synonyms
3-chloro-N,N-dipropylbenzamide17271-10-23-Chloro-N,N-di-n-propylbenzamide3-Chloro-N,N-di-n-propylbenzaMide, 97per centCBMicro_049087Cambridge id 5552807SCHEMBL13911266DTXSID701352106FAA55280Benzamide, 3-chloro-N,N-dipropyl-AKOS003266023(3-chlorophenyl)-N,N-dipropylcarboxamide
Show more names
3-Chloro-N,N-di-n-propylbenzaMide, 97%
ST042756BIM-0048969.P001G59235AB00088742-01SR-01000212804SR-01000212804-1
Database identifiers
- CAS
17271-10-2- PubChem CID
- 669182
- DTXSID
DTXSID701352106
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 360.8 · 360.8±25.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- -1.87 · -1.87±0.70(Predicted)
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Related reactions
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Compound notes
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