Basic information
- CAS
53206-80-7- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(O)CNC(C)C- InChIKey
JNLHPPFPJXHLKE-UHFFFAOYSA-N- Molecular formula
- C18H29NO4
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.20965841
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(isopropylamino)propoxy)-, methyl ester
- IUPAC
- methyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-Hydroxy-3-(isopropylamino)propoxy]-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C18H29NO4
- Molecular weight
- 323.43
Names & synonyms
BRN 275718053206-80-7Methyl 3-(2-hydroxy-3-(isopropylamino)propoxy)-p-cymene-2-carboxylatep-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(isopropylamino)propoxy)-, methyl esterRefChem:367653DTXSID10967716Methyl 2-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-6-methyl-3-(propan-2-yl)benzoate3-[2-Hydroxy-3-(isopropylamino)propoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53206-80-7- PubChem CID
- 40646
- DTXSID
DTXSID10967716- Nikkaji
- J85.311I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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