Basic information
- CAS
107323-99-9- Standard SMILES
CC1(C)OOC1(C)COC(=O)Nc1ccncc1- InChIKey
WCMZGQFICUWNJP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
- IUPAC
- (3,4,4-trimethyldioxetan-3-yl)methyl N-pyridin-4-ylcarbamate
- English name
- (3,4,4-Trimethyl-1,2-dioxetan-3-yl)methyl 4-pyridinylcarbamate
- Molecular formula
- C12H16N2O4
- Molecular weight
- 252.27
Names & synonyms
107323-99-94-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl esterCARBAMIC ACID, 4-PYRIDINYL-, (3,4,4-TRIMETHYL-1,2-DIOXETAN-3-YL)METHYL ESTERBRN 4189425WCMZGQFICUWNJP-UHFFFAOYSA-NDTXSID40910295(3,4,4-Trimethyl-1,2-dioxetan-3-yl)methyl 4-pyridinylcarbamate #(3,4,4-Trimethyl-1,2-dioxetan-3-yl)methyl pyridin-4(1H)-ylidenecarbamate(3,4,4-Trimethyl-1,2-dioxetan-3-yl)methyl 4-pyridinylcarbamateCarbamic acid, 4-pyridinyl-, (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester (9CI)
Database identifiers
- CAS
107323-99-9- PubChem CID
- 60186
- DTXSID
DTXSID40910295
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 298.4 · 298.4±13.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 12.24 · 12.24±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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