Nia-11637
Basic information
- CAS
16146-62-6- Standard SMILES
CNC(=O)Oc1cccc2c1OC(C)(C)CC2- InChIKey
XAMLYVOKCFEFDG-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Nia-11637
- IUPAC
- (2,2-dimethyl-3,4-dihydrochromen-8-yl) N-methylcarbamate
Names & synonyms
Niagara 11637Niagara 108562,2-Dimethylchromanyl-8 N-methylcarbamateNIA-11637FMC 11637ENT 27,385CARBAMIC ACID, METHYL-, 2,2-DIMETHYL-8-CHROMANYL ESTERAI3-27385IYD478G664UNII-IYD478G6643,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-8-yl methylcarbamateDTXSID90167156
Show more names
2H-1-Benzopyran-8-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate8-CHROMANOL, 2,2-DIMETHYL-, METHYLCARBAMATE2H-1-BENZOPYRAN-8-OL, 3,4-DIHYDRO-2,2-DIMETHYL-, METHYLCARBAMATE2H-1-BENZOPYRAN-8-OL, 3,4-DIHYDRO-2,2-DIMETHYL-, 8-(N-METHYLCARBAMATE)RefChem:202278DTXCID508964716146-62-62,2-Dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl methylcarbamate
Database identifiers
- CAS
16146-62-6- PubChem CID
- 27703
- DTXSID
DTXSID90167156- UNII
- IYD478G664
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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