1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol
Basic information
- CAS
78510-05-1- Standard SMILES
C=CCc1ccccc1OCC(O)CNC- InChIKey
DTFPUFZXVSZQHE-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol
- IUPAC
- 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
- English name
- 1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
78510-05-11-(2-Allyl-phenoxy)-3-methylamino-propan-2-olDTXSID50349496RefChem:223110DTXCID903005661-(2-allylphenoxy)-3-(methylamino)propan-2-ol1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-olMFCD037248111-(methylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol3-(methylamino)-1-(2-prop-2-enylphenoxy)propan-2-olMLS000032603HMS2328J04
Show more names
1-methylamino-3-(2-prop-2-enylphenoxy)propan-2-ol2-Propanol, 1-(methylamino)-3-[2-(2-propen-1-yl)phenoxy]-
CHEMBL1404794ALBB-005490SBB028019STK503442AKOS000265767AKOS016051069LS-02034SMR000013458
Database identifiers
- CAS
78510-05-1- PubChem CID
- 650108
- DTXSID
DTXSID50349496- ChEMBL
CHEMBL1404794
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 361.7 · 361.7±37.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.20(Predicted)
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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