2-(3-Aminopropyl)phenol
Basic information
- CAS
90765-59-6- Standard SMILES
NCCCc1ccccc1O- InChIKey
QWGDENNPWXKGPQ-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 2-(3-Aminopropyl)phenol
- IUPAC
- 2-(3-aminopropyl)phenol
- English name
- 2-(3-Aminopropyl)phenol
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
2-(3-aminopropyl)phenol90765-59-6DTXSID00399209RefChem:251386DTXCID10204471Phenol, 2-(3-aminopropyl)-MFCD00870505(aminopropyl)phenolSCHEMBL632783SCHEMBL10666283AKOS006343238A31122
Show more names
G50882EN300-1833123
Database identifiers
- CAS
90765-59-6- PubChem CID
- 4091386
- DTXSID
DTXSID00399209
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 274.4 · 274.4±23.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 10.37 · 10.37±0.30(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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