Basic information
- CAS
61035-88-9- Standard SMILES
CCCCCCCCCCCCCCCCCOc1ccc(CCN)cc1.Cl- InChIKey
NHZKJSHJMQACBA-UHFFFAOYSA-N- Molecular formula
- C25H46ClNO
- Average molar mass
- 412.1 g/mol
- Monoisotopic mass
- 411.3267928
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-(heptadecyloxy)-, hydrochloride (1:1)
- IUPAC
- 2-(4-heptadecoxyphenyl)ethanamine;hydrochloride
Names & synonyms
Benzeneethanamine, 4-(heptadecyloxy)-, hydrochloride61035-88-9DTXSID40209914RefChem:1078430DTXCID90132405Benzeneethanamine, 4-(heptadecyloxy)-, hydrochloride (1:1)4-(Heptadecyloxy)benzeneethanamine hydrochloride2-[4-(Heptadecyloxy)phenyl]ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
61035-88-9- PubChem CID
- 3045700
- DTXSID
DTXSID40209914
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…