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126-02-3

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Basic Information
CAS No.: 126-02-3
Name: cycrimine hydrochloride
Molecular Structure:
Molecular Structure of 126-02-3 (cycrimine hydrochloride)
Formula: C19H29 N O . Cl H
Molecular Weight: 323.95
Synonyms: 1-Piperidinepropanol,a-cyclopentyl-a-phenyl-, hydrochloride(6CI,7CI,8CI,9CI); 1-Phenyl-1-cyclopentyl-3-piperidino-1-propanolhydrochloride; Compound 8958; Cycrimine hydrochloride; NSC 169452; Pagitanehydrochloride; a-Cyclopentyl-a-phenyl-1-piperidinepropanolhydrochloride
Density: g/cm3
Boiling Point: 433.5°Cat760mmHg
Flash Point: 205.7°C
Safety: Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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Chemistry

Product Name: Cycrimine hydrochloride (CAS NO.126-02-3)


Molecular Formula: C19H29NO•ClH
Molecular Weight: 323.95g/mol
Mol File: 126-02-3.mol
Einecs: 204-764-8
Boiling point: 433.5 °C at 760 mmHg
Flash Point: 205.7 °C
Enthalpy of Vaporization: 72.68 kJ/mol
Vapour Pressure: 2.76E-08 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of Cycrimine hydrochloride (CAS NO.126-02-3):
  IUPAC Name: 1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride
  Canonical SMILES: C1CCN(CC1)CCC(C2CCCC2)(C3=CC=CC=C3)O.Cl
  InChI: InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H 
  InChIKey: WBCWFMFZMRFRLT-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 50mg/kg (50mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 218, 1972.
mouse LD50 oral 349mg/kg (349mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 218, 1972.
rat LD50 oral 628mg/kg (628mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 218, 1972.

Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Specification

 Cycrimine hydrochloride ,its CAS NO. is 126-02-3,the synonyms is 1-Phenyl-1-cyclopentyl-3-piperidino-1-propanol hydrochloride ; Compound 8958 ; Cycrimine HCl ; EINECS 204-764-8 ; Lilly 08958 ; NSC 169452 ; Pagitane ; Pagitane hydrochloride ; UNII-9RB4L4K895 ; alpha-Cyclopentyl-alpha-phenyl-1-piperidinepropanol hydrochloride .