Basic information
- CAS
185300-64-5- Standard SMILES
CCOC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1- InChIKey
UGQKTNWJBOAJBJ-UHFFFAOYSA-N- Molecular formula
- C18H23NO7S
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.11952325
Names & identifiers
- Preferred name
- Ethyl 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
- IUPAC
- ethyl 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
- English name
- Ethyl 3-[[(3,4-dimethoxyphenyl)sulfonyl](2-furylmethyl)amino]propanoate
- Molecular formula
- C18H23NO7S
- Molecular weight
- 397.44
Names & synonyms
185300-64-5ethyl 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoateETHYL 3-[[(3,4-DIMETHOXYPHENYL)SULFONYL](2-FURYLMETHYL)AMINO]PROPANOATEEthyl 3-(N-(furan-2-ylmethyl)-3,4-dimethoxyphenylsulfonamido)propanoateDTXSID10381392AB00013110-01Eethyl 3-[[(3,4-dimethoxyphenyl)sulphonyl](2-furylmethyl)amino]propanoateEthyl N-(3,4-dimethoxybenzene-1-sulfonyl)-N-[(furan-2-yl)methyl]-beta-alaninateβ-Alanine, N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(2-furanylmethyl)-, ethyl ester
Database identifiers
- CAS
185300-64-5- PubChem CID
- 2779331
- DTXSID
DTXSID10381392
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 534.4 · 534.4±60.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- -9.12 · -9.12±0.70(Predicted)
- HS Code
- 2932190090 · 2932190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932190090
Chemistry & industry
Suppliers2 total
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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