1,4-Cyclohexanedicarboxamide
Basic information
- CAS
20101-86-4- Standard SMILES
NC(=O)C1CCC(C(N)=O)CC1- InChIKey
ZWUNKULTLYLLTH-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- 1,4-Cyclohexanedicarboxamide
- IUPAC
- cyclohexane-1,4-dicarboxamide
- English name
- 1,4-Cyclohexanedicarboxamide
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
1,4-Cyclohexanedicarboxamide20101-86-4DTXSID3066556RefChem:416572DTXCID103620254657-09-9trans-Cyclohexane-1,4-dicarboxamidecyclohexane-1,4-dicarboxamidetrans-Cyclohexane-1,4-dicarboxylic acid diamide(1R,4R)-CYCLOHEXANE-1,4-DICARBOXAMIDENSC145146SCHEMBL383436
Show more names
SCHEMBL97975571,4-Cyclohexanedicarboxamide #SCHEMBL13332956cis-1,4-CyclohexanedicarboxamideZWUNKULTLYLLTH-IZLXSQMJSA-NZWUNKULTLYLLTH-OLQVQODUSA-NZWUNKULTLYLLTH-UHFFFAOYSA-NCyclohexane-cis-1,4-dicarboxamide
Database identifiers
- CAS
20101-86-4、54657-09-9- PubChem CID
- 89270
- DTXSID
DTXSID3066556- Nikkaji
- J422.053F、J542.846G、J542.847E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 200 · 200-202 °C
- Boiling point
- 471.8 · 471.8±25.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 16.37 · 16.37±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Cyclohexanedicarboxamide (20101-86-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Cyclohexanedicarboxamide: INACTIVE
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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