Basic information
- CAS
20921-50-0- Standard SMILES
C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccc(C)c(C)c1- InChIKey
GHJUEIFJFIGMDD-UHFFFAOYSA-N- Molecular formula
- C24H27NO2
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.2041791
Names & identifiers
- Preferred name
- 1-(3,4-Dimethylphenyl)-1-phenyl-2-propynyl cyclohexylcarbamate
- IUPAC
- [1-(3,4-dimethylphenyl)-1-phenylprop-2-ynyl] N-cyclohexylcarbamate
- English name
- N-Cyclohexylcarbamic acid 1-phenyl-1-(3,4-xylyl)-2-propynyl ester
- Molecular formula
- C24H27NO2
- Molecular weight
- 361.48
Names & synonyms
20921-50-01-(3,4-Dimethylphenyl)-1-phenyl-2-propynyl cyclohexylcarbamate03TJ91ISED1-Phenyl-1-(3,4-xylyl)-2-propynyl-N-cyclohexylcarbamateCCRIS 1241N-Cyclohexylcarbamic acid 1-phenyl-1-(3,4-xylyl)-2-propynyl esterBRN 3107971UNII-03TJ91ISED1-Phenyl-1-(3,4-xylyl)-2-propynyl N-cyclohexylcarbamateDTXSID80943183CARBAMIC ACID, N-CYCLOHEXYL-, 1-PHENYL-1-(3,4-XYLYL)-2-PROPYNYL ESTERQ27247585
Show more names
Enpromate Impurity 421-Phenyl-1-(3,4-xylyl)-2-propynyl=N-cyclohexylcarbamateN-Cyclohexylcarbamic acid 1-phenyl-1-(3,4-xylyl)-2-propynylCarbamic acid, cyclohexyl-, 1-(3,4-dimethylphenyl)-1-phenyl-2-propynyl ester (9CI)
CYCLOHEXANECARBAMIC ACID, 1-PHENYL-1-(3,4-XYLYL)-2-PROPYNYL ESTER1-(3,4-Dimethylphenyl)-1-phenylprop-2-yn-1-yl hydrogen cyclohexylcarbonimidateCARBAMIC ACID, CYCLOHEXYL-, 1-(3,4-DIMETHYLPHENYL)-1-PHENYL-2-PROPYNYL ESTER
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Boiling point
- 493.28 °C · 493.28°C (rough estimate)
- Density
- 1.1046 · 1.1046 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 3 TJ91ISED · 03TJ91ISED
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
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Compound notes
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