1-Amino-3-(3-methylphenoxy)propan-2-ol
Basic information
- CAS
4698-88-8- Standard SMILES
Cc1cccc(OCC(O)CN)c1- InChIKey
NUEKYLDQIOYNLD-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
Names & identifiers
- Preferred name
- 1-Amino-3-(3-methylphenoxy)propan-2-ol
- IUPAC
- 1-amino-3-(3-methylphenoxy)propan-2-ol
- English name
- AKOS BBS-00005843
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
1-amino-3-(3-methylphenoxy)propan-2-ol4698-88-81-amino-3-(m-tolyloxy)propan-2-ol1-Amino-3-m-tolyloxy-propan-2-olSCHEMBL773103CHEMBL4566597SCHEMBL10773195HMS1700H16EAA69888SBB010668STK927771AKOS000147670
Show more names
RMA-648AKOS BBS-00005843TIMTEC-BB SBB0106682-Propanol, 1-amino-3-(3-methylphenoxy)-
AKOS016039976SB84631NCGC00342472-01CS-0251434ST50289651EN300-54748VU0607400-1AB01334363-02
Database identifiers
- CAS
4698-88-8- ChEMBL
CHEMBL4566597- Nikkaji
- J360.140D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 264 °C · 264 °C
- Boiling point
- 346 · 346.0±32.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 11.98 · 11.98±0.35(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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