Basic information
- CAS
1213689-86-1- Standard SMILES
CC(C)c1ccccc1[C@@H](N)CO- InChIKey
KGRGRVGAAGZGCB-NSHDSACASA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
Names & identifiers
- Preferred name
- (R)-2-Amino-2-(2-isopropylphenyl)ethan-1-ol
- IUPAC
- (2R)-2-amino-2-(2-propan-2-ylphenyl)ethanol
- English name
- (2R)-2-Amino-2-[2-(methylethyl)phenyl]ethan-1-ol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.25878
Names & synonyms
(R)-2-Amino-2-(2-isopropylphenyl)ethan-1-ol1213689-86-1(2R)-2-AMINO-2-[2-(PROPAN-2-YL)PHENYL]ETHAN-1-OL(2R)-2-AMINO-2-(2-ISOPROPYLPHENYL)ETHANOLAKOS015927894BS-49300D96380(2R)-2-amino-2-(2-propan-2-ylphenyl)ethanolEN300-1844800(2R)-2-AMINO-2-[2-(METHYLETHYL)PHENYL]ETHAN-1-OLBenzeneethanol, β-amino-2-(1-methylethyl)-, (βR)-
Database identifiers
- CAS
1213689-86-1
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
- 13
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 311.4 · 311.4±27.0 °C(Predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers7 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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