Clenproperol
Basic information
- CAS
38339-11-6- Standard SMILES
CC(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1- InChIKey
JXUDZCJTCKCTQK-UHFFFAOYSA-N- Molecular formula
- C11H16Cl2N2O
- Average molar mass
- 263.16 g/mol
- Monoisotopic mass
- 262.0639685
Overview
an adrenerigc beta-agonist; structure in first source
Names & identifiers
- Preferred name
- Clenproperol
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol
- English name
- 1-(4-Amino-3,5-dichloro-phenyl)-2-isopropylamino-ethanol(clenproperol)
- Molecular formula
- C11H16Cl2N2O
- Molecular weight
- 263.16
Names & synonyms
Clenproperol38339-11-6DTXSID40959265RefChem:126928DTXCID20842247635-762-91-(4-amino-3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol1-(4-AMINO-3,5-DICHLORO-PHENYL)-2-ISOPROPYLAMINO-ETHANOL(CLENPROPEROL)CHEMBL1159713NAB-277;NAB 277;NAB2771-(4-Amino-3,5-dichlorophenyl)-2-[(propan-2-yl)amino]ethan-1-olNAB 277; 1-?(4-?Amino-?3,5-?dichloro-?)?-?2-?isopropylaminoethanol
Show more names
NAB 277CLENPROPEROL VETRANALC11668740 ClenproperolClenproperol (Standard)Clenproperol in MethanolClenproperol hydrochlorideClenproperol Solution, 100ppmClenproperol 100 μg/ml AcetonitrileClenproperol Solution in Methanol, 100μg/mL
BRN 23765354-Amino-3,5-dichloro-alpha-(((1-methylethyl)amino)methyl)benzenemethanolBenzenemethanol, 4-amino-3,5-dichloro-alpha-(((1-methylethyl)amino)methyl)-orb1690558orb3025758SCHEMBL11188716MSK1318BDBM50421731
Database identifiers
- CAS
38339-11-6- PubChem CID
- 217246
- DTXSID
DTXSID40959265- ChEMBL
CHEMBL1159713- EC Number
- 635-762-9
- Nikkaji
- J883.653A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Collision Cross Section160.82 Ų [M+H-H2O]+
Physicochemical properties
- Melting point
- 110 · 110-113°C
- Boiling point
- 399.2 · 399.2±37.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.27 · 13.27±0.20(Predicted)
- color
- White to Light Beige
- BRN
- 2376535 · 2376535
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DA4726900
- Toxicity
- mouse,LD50,intravenous,24400ug/kg (24.4mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 869, 1972.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesA related drug of Clenbuterol (C569998), a β-agonist which can be used as a growth promoter in farm animals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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