(S)-1-(2-Methoxyphenyl)butan-1-amine
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Basic information
- CAS
1213447-24-5- Standard SMILES
CCC[C@H](N)c1ccccc1OC- InChIKey
HENNVVUSVDITRX-JTQLQIEISA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
Names & identifiers
- Preferred name
- (S)-1-(2-Methoxyphenyl)butan-1-amine
- IUPAC
- (1S)-1-(2-methoxyphenyl)butan-1-amine
- English name
- (1S)-1-(2-Methoxyphenyl)butylamine
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
(S)-1-(2-Methoxyphenyl)butan-1-amine1213447-24-5(S)-1-(2-methoxyphenyl)butylamineAKOS006288663DB-1795051391515-30-2(1S)-1-(2-Methoxyphenyl)butylamineBenzenemethanamine, 2-methoxy-α-propyl-, (αS)-
Database identifiers
- CAS
1213447-24-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 278.9 · 278.9±23.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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