IUPAC Name: 1-(2-cyclopropylphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
Molecular Formula C15H24ClNO2
Molecular Weight 285.80956g/mol
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Exact Mass: 285.149557
MonoIsotopic Mass: 285.149557
Topological Polar Surface Area: 41.5
Heavy Atom Count: 19
Formal Charge: 0
Complexity: 241
Flash Point: 197 °C
Enthalpy of Vaporization: 68.89 kJ/mol
Boiling Point: 402.2 °C at 760 mmHg
Vapour Pressure: 3.44E-07 mmHg at 25°C
Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1C2CC2)O.Cl
InChI: InChI=1S/C15H23NO2.ClH/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-
12;/h3-6,11-13,16-17H,7-10H2,1-2H3;1H
InChIKey: CUFFTYPXDOXRNW-UHFFFAOYSA-N
Structure of Procinolol hydrochloride (CAS NO.27325-18-4):
1. | orl-mus LD50:382 mg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),971. | ||
2. | ipr-mus LD50:131 mg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),971. | ||
3. | ivn-mus LD50:32 mg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),971. |
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Procinolol hydrochloride , its cas register number is 27325-18-4. It also can be called 1-(o-Cyclopropylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride ; 2-Propanol, 1-(2-cyclopropylphenoxy)-3-((1-methylethyl)amino)-, hydrochloride ; NSC 303852 ; Procinolol hydrochloride ; SD 2124-01 hydrochloride .When Procinolol hydrochloride (CAS NO.27325-18-4) is heated to decomposition, it emits toxic fumes of NOx and HCl.
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