{2-[4-(3-Methylbutoxy)phenyl]ethyl}amine hydrochloride
Basic information
- CAS
1201633-54-6- Standard SMILES
CC(C)CCOc1ccc(CCN)cc1.Cl- InChIKey
QRTMYRQYOQNTLI-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO
- Average molar mass
- 243.77 g/mol
- Monoisotopic mass
- 243.138992
Names & identifiers
- Preferred name
- {2-[4-(3-Methylbutoxy)phenyl]ethyl}amine hydrochloride
- IUPAC
- 2-[4-(3-methylbutoxy)phenyl]ethanamine;hydrochloride
- English name
- 2-[4-(3-methylbutoxy)phenyl]ethanamine(SALTDATA: HCl)
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
1201633-54-6{2-[4-(3-methylbutoxy)phenyl]ethyl}amine hydrochlorideMFCD12195863(2-[4-(3-Methylbutoxy)phenyl]ethyl)amine hydrochlorideDTXSID406579762-[4-(3-methylbutoxy)phenyl]ethanamine;hydrochloride{2-[4-(3-Methylbutoxy)phenyl]ethyl}aminehydrochloride2-[4-(3-Methylbutoxy)phenyl]ethan-1-amine--hydrogen chloride (1/1)2-[4-(3-methylbutoxy)phenyl]ethylamine, chloride2-[4-(3-METHYLBUTOXY)PHENYL]ETHANAMINE HYDROCHLORIDEBYB63354SBB079912
Show more names
Reaxys ID: 23187384Benzeneethanamine, 4-(3-methylbutoxy)-2-[4-(3-methylbutoxy)phenyl]ethanamine(SALTDATA: HCl)
AKOS005110916BS-37157ST45053173{2-[4-(3-Methylbutoxy)phenyl]ethyl}amine HCl2-(4-isopentyloxyphenyl)ethanamine;hydrochloride
Database identifiers
- CAS
1201633-54-6、953905-37-8- PubChem CID
- 44229293
- DTXSID
DTXSID40657976
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 309.4 · 309.4±17.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.10(Predicted)
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Compound notes
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