Basic information
- CAS
23026-51-9- Standard SMILES
CNC(=O)OCCCN1CCC(Oc2ccccc2OC)C1.O=C(O)C(=O)O- InChIKey
HRRYCVNTCZSGQH-UHFFFAOYSA-N- Molecular formula
- C18H26N2O8
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.16891579
Names & identifiers
- Preferred name
- 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, methylcarbamate (ester), oxalate (1:1)
- IUPAC
- 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-methylcarbamate;oxalic acid
- English name
- 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, methylcarbamate (ester), oxalate (1:1)
- Molecular formula
- C18H26N2O8
- Molecular weight
- 398.41
Names & synonyms
23026-51-93-(o-Methoxyphenoxy)-1-pyrrolidinepropanol methylcarbamate (ester), oxalate (1:1)1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, methylcarbamate (ester), oxalate (1:1)RefChem:2352713-(3-(2-Methoxyphenoxy)pyrrolidin-1-yl)propyl methylcarbamate oxalateDTXSID70945712Oxalic acid--3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl hydrogen methylcarbonimidate (1/1)
Database identifiers
- CAS
23026-51-9- PubChem CID
- 211397
- DTXSID
DTXSID70945712
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…