Basic information
- CAS
7229-46-1- Standard SMILES
C=CCOc1c(C(C)C)cc(C[NH3+])cc1C(C)C.[Cl-]- InChIKey
XUPCOMKGAZXGFK-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO
- Average molar mass
- 283.83 g/mol
- Monoisotopic mass
- 283.1702921
Names & identifiers
- Preferred name
- Benzylamine, 4-(allyloxy)-3,5-diisopropyl-, hydrochloride
- IUPAC
- [3,5-di(propan-2-yl)-4-prop-2-enoxyphenyl]methylazanium chloride
Names & synonyms
4-Allyloxy-3,5-diisopropylbenzylamine hydrochloride7229-46-1BENZYLAMINE, 4-(ALLYLOXY)-3,5-DIISOPROPYL-, HYDROCHLORIDERefChem:328773
Database identifiers
- CAS
7229-46-1- PubChem CID
- 23657
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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