Basic information
- CAS
7229-44-9- Standard SMILES
C=CCOc1c(CCC)cc(C[NH+](C)C)cc1CCC.[Cl-]- InChIKey
JJNUGBZERXUNRH-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO
- Average molar mass
- 311.9 g/mol
- Monoisotopic mass
- 311.2015923
Names & identifiers
- Preferred name
- Benzylamine, 4-(allyloxy)-N,N-dimethyl-3,5-dipropyl-, hydrochloride
- IUPAC
- dimethyl-[(4-prop-2-enoxy-3,5-dipropylphenyl)methyl]azanium chloride
Names & synonyms
NSC 379304-Allyloxy-N,N-dimethyl-3,5-dipropylbenzylamine hydrochlorideBENZYLAMINE, 4-(ALLYLOXY)-N,N-DIMETHYL-3,5-DIPROPYL-, HYDROCHLORIDE7229-44-9RefChem:328778
Database identifiers
- CAS
7229-44-9- PubChem CID
- 23655
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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