Basic information
- CAS
1246820-75-6- Standard SMILES
CC(C)(C)NCC(O)c1ccccc1Cl- InChIKey
YREYLAVBNPACJM-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Overview
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol is an organochlorine compound.
Names & identifiers
- Preferred name
- Tulobuterol
- IUPAC
- 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
- English name
- [2H9]-Tulobuterol, racemic mixture
- Molecular formula
- C12H18ClNO
- Molecular weight
- 227.73
Names & synonyms
tulobuterol41570-61-0TulobuterolumChlibamolBremax2-(tert-butylamino)-1-(2-chlorophenyl)ethan-1-ol591I9SU0F7NSC-7586432-Chloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanolDTXSID7048457alpha-((tert-Butylamino)methyl)-o-chlorobenzyl alcohol2-Chloro-alpha-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol
Show more names
2H9]-(±)-Tulobuterol[2H9]-Tulobuterol, racemic mixture
(+-)-TulobuterolRefChem:9007111-(o-chlorophenyl)-2-tert-butylaminoethanolDTXCID7028431R03AC11R03CC11(1RS)-1-(2-Chlorophenyl)-2-(1,1-dimethylethyl)aminoethanol2-(tert-Butylamino)-1-(2-chlorophenyl)ethanol
Database identifiers
- CAS
1246820-75-6、41570-61-0- PubChem CID
- 5606
- DTXSID
DTXSID7048457- ChEMBL
CHEMBL1159717- ChEBI
CHEBI:93856
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
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Collision Cross Section
150.5 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
150.47 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Uses & manufacturing
Use ClassificationPharmaceuticals
Suppliers1 total
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
1 records
Compound notes
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