Basic information
- CAS
52400-76-7- Standard SMILES
CC1(CC[NH2+]Cc2ccccc2)Oc2ccccc2O1.[Cl-]- InChIKey
AVEMQRFZNLPGSY-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-(2-(benzylamino)ethyl)-2-methyl-, hydrochloride
- IUPAC
- benzyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Names & synonyms
1,3-BENZODIOXOLE, 2-(2-(BENZYLAMINO)ETHYL)-2-METHYL-, HYDROCHLORIDE52400-76-7RefChem:10526892-(2-(Benzylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride
Database identifiers
- CAS
52400-76-7- PubChem CID
- 40360
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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