Basic information
- CAS
152693-33-9- Standard SMILES
CC(C)(C)NC[C@H](O)c1ccccc1Cl- InChIKey
VVIVBRYHTLRZGY-MBANBULQSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethan-1-ol
- IUPAC
- (1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
- English name
- (R)-Tulobuterol
- Molecular formula
- C12H18ClNO2.C4H6O6
- Molecular weight
- 393.818
Names & synonyms
152693-33-9(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethan-1-ol(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanolMFCD00867022(R)Tulobuterol(R)-TulobuterolTulobuterol, (R)-Lopac-T-6050W5XE5SF3F6CHEMBL1607062SCHEMBL22970444SCHEMBL30986127
Show more names
Benzenemethanol, 2-chloro-a-[[(1,1-dimethylethyl)amino]methyl]-, (R)-Benzenemethanol, 2-chloro-α-[[(1,1-dimethylethyl)amino]methyl]-, (αR)-Benzenemethanol, 2-chloro-a-[[(1,1-dimethylethyl)amino]methyl]-, (aR)- (9CI)
AC-817AKOS015964182EBC-194029NCGC00016034-01NCGC00016034-06EN300-318275Z2001932323(alphaR)-2-Chloro-alpha-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol
Database identifiers
- CAS
152693-33-9- PubChem CID
- 688591
- ChEMBL
CHEMBL1607062- UNII
- W5XE5SF3F6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 338.2 · 338.2±27.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.20(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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