Basic information
- CAS
52400-55-2- Standard SMILES
CC[NH2+]CCC1(C)Oc2ccccc2O1.[Cl-]- InChIKey
HSGZSWGTFGUNGV-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Overview
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Names & identifiers
- Preferred name
- Ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
- IUPAC
- ethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Names & synonyms
NSC 304119
Database identifiers
- CAS
52400-55-2- PubChem CID
- 40345
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
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Compound notes
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