Basic information
- CAS
6159-12-2- Standard SMILES
NC(=O)OCC(O)COc1ccc2c(c1)CCCC2- InChIKey
NWSILLQQTSAKHH-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- 3-(1,2,3,4-Tetrahydro-7-naphthyloxy)-2-hydroxypropyl carbamate
- IUPAC
- [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] carbamate
- English name
- Carbamic acid 2-hydroxy-3-[(5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propyl ester
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.3
Names & synonyms
6159-12-2BRN 33813953-(1,2,3,4-Tetrahydro-7-naphthyloxy)-2-hydroxypropyl carbamateDTXSID309771753-(1,2,3,4-Tetrahydro-7-naphthyloxy)-1,2-propanediol 1-carbamate1,2-Propanediol, 3-(5,6,7,8-tetrahydro-2-naphthyloxy)-, 1-carbamate2-Hydroxy-3-[(5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propyl hydrogen carbonimidate1,2-Propanediol, 3-[(5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-, 1-carbamateCarbamic acid 2-hydroxy-3-[(5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propyl ester
Database identifiers
- CAS
6159-12-2- PubChem CID
- 110795
- DTXSID
DTXSID30977175- Nikkaji
- J53.879E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 530.8 · 530.8±50.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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