Basic information
- CAS
66859-44-7- Standard SMILES
CCOC(=O)C(CC[NH3+])c1ccc2c(c1)OCO2.[Cl-]- InChIKey
PZGKPZCMXDODAB-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO4
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0924357
Names & identifiers
- Preferred name
- Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)
- IUPAC
- [3-(1,3-benzodioxol-5-yl)-4-ethoxy-4-oxobutyl]azanium chloride
Names & synonyms
66859-44-7DTXSID10985470Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)RefChem:1084924DTXCID701412663Ethyl 4-amino-2-(3,4-methylenedioxyphenyl)butyrate hydrochlorideBUTYRIC ACID, 4-AMINO-2-(3,4-METHYLENEDIOXYPHENYL)-, ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66859-44-7- PubChem CID
- 48182
Properties
Computed structural properties
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…