Basic information
- CAS
55474-91-4- Standard SMILES
CC(C)CNCC(O)c1ccccc1- InChIKey
UERFLMOOWGTPDV-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- alpha-[[(2-Methylpropyl)amino]methyl]benzenemethanol
- IUPAC
- 2-(2-methylpropylamino)-1-phenylethanol
- English name
- 2-[(2-methylpropyl)amino]-1-phenylethan-1-ol
- Molecular formula
- C12H19NO
- Molecular weight
- 193.29
Names & synonyms
55474-91-4alpha-(((2-Methylpropyl)amino)methyl)benzenemethanolalpha-[[(2-Methylpropyl)amino]methyl]benzenemethanolRefChem:3181592-[(2-methylpropyl)amino]-1-phenylethan-1-ol2-(2-methylpropylamino)-1-phenylethanolSCHEMBL7114926UERFLMOOWGTPDV-UHFFFAOYSA-N2-(isobutylamino)-1-phenylethanolDTXSID901239940FCA47491AKOS002629415
Show more names
Benzenemethanol, α-[[(2-methylpropyl)amino]methyl]-
AKOS017262194CS-0261758EN300-79859G58029I+/--[[(2-Methylpropyl)amino]methyl]benzenemethanolZ31378498
Database identifiers
- CAS
55474-91-4- PubChem CID
- 3939463
- DTXSID
DTXSID901239940
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 289.9 · 289.9±7.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 14 · 14.00±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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