Basic information
- CAS
70045-00-0- Standard SMILES
CCCN(CCc1ccccc1)CCc1ccc2c(c1)OCO2.Cl- InChIKey
RNHTZNHMKGLDLM-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO2
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.1652068
Names & identifiers
- Preferred name
- Phenethylamine, 3,4-methylenedioxy-N-phenethyl-N-propyl-, hydrochloride
- IUPAC
- N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine;hydrochloride
Names & synonyms
Phenethylamine, 3,4-methylenedioxy-N-phenethyl-N-propyl-, hydrochloride70045-00-0DTXSID002203273,4-Methylenedioxyphenethylamine, N-(2-phenethyl)-N-propyl-, hydrochlorideRefChem:368667DTXCID00142818N-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
70045-00-0- PubChem CID
- 3053508
- DTXSID
DTXSID00220327
Properties
Computed structural properties
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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