N,N'-Dihexylterephthalamide
Basic information
- CAS
41203-68-3- Standard SMILES
CCCCCCNC(=O)c1ccc(C(=O)NCCCCCC)cc1- InChIKey
NNGQKAZLMMHZDR-UHFFFAOYSA-N- Molecular formula
- C20H32N2O2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.24637827
Names & identifiers
- Preferred name
- N,N'-Dihexylterephthalamide
- IUPAC
- 1-N,4-N-dihexylbenzene-1,4-dicarboxamide
- English name
- N,N-dihexylbenzene-1,4-dicarboxamide
- Molecular formula
- C20H32N2O2
- Molecular weight
- 332.48
Names & synonyms
N,N'-DihexylterephthalamideRefChem:821905662-473-5N1,N4-DIHEXYLBENZENE-1,4-DICARBOXAMIDENSC2053911-N,4-N-dihexylbenzene-1,4-dicarboxamideN1,N4-DihexylterephthalamideSCHEMBL9504178N,N'-di-n-hexyl-terephthalamideN~1~,N~4~-dihexylterephthalamideMFCD00157837STK468171
Show more names
N,N-dihexylbenzene-1,4-dicarboxamide
AKOS003326514N,N'-dihexylbenzene-1,4-dicarboxamideNSC-205391SS-5213ST50446821N~1~,N~4~-dihexylbenzene-1,4-dicarboxamideN-hexyl[4-(N-hexylcarbamoyl)phenyl]carboxamide
Database identifiers
- CAS
41203-68-3- PubChem CID
- 307287
- Nikkaji
- J637.292I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 533.083 · 533.083±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.193 · 14.193±0.46(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
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Compound notes
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