Basic information
- CAS
4849-33-6- Standard SMILES
C=CCNC(=O)Oc1cccc(NC(=O)N(C)C)c1- InChIKey
YUWLVEREVILSIW-UHFFFAOYSA-N- Molecular formula
- C13H17N3O3
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.12699141
Names & identifiers
- Preferred name
- Carbamic acid, allyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea
- IUPAC
- [3-(dimethylcarbamoylamino)phenyl] N-prop-2-enylcarbamate
- English name
- N-Allylcarbamic acid 3-[[(dimethylamino)carbonyl]amino]phenyl ester
- Molecular formula
- C13H17N3O3
- Molecular weight
- 263.29
Names & synonyms
4849-33-6m-(3,3-Dimethylureido)phenyl allylcarbamateNSC 222497BRN 2872897Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, allylcarbamate (ester)74CF56F20UNSC-222497Carbamic acid, allyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylureaUNII-74CF56F20UUrea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, allylcarbamateCarbamic acid, allyl-, m-(3,3-dimethylureido)phenyl esterDTXSID30197538
Show more names
1,1-Dimethyl-3-(m-hydroxyphenyl)urea allylcarbamateN-Allylcarbamic acid 3-[[(dimethylamino)carbonyl]amino]phenyl esterCarbamic acid, allyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea (7CI,8CI)
RefChem:200069DTXCID90120029Carbamic acid, allyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea (8CI)NSC222497Urea,1-dimethyl-3-(m-hydroxyphenyl)-, allylcarbamate3-[(Dimethylcarbamoyl)amino]phenyl prop-2-en-1-ylcarbamate
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 164 · 164-165 °C
- Boiling point
- 438.1 · 438.1±45.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 11.86 · 11.86±0.46(Predicted)
- FDA UNII
- 74 CF56F20U · 74CF56F20U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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