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5586-87-8

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Basic Information
CAS No.: 5586-87-8
Name: N-(3-chloropropyl)-alpha-methylphenethylamine hydrochloride
Molecular Structure:
Molecular Structure of 5586-87-8 (N-(3-chloropropyl)-alpha-methylphenethylamine hydrochloride)
Formula: C12H18 Cl N . Cl H
Molecular Weight: 248.22
Synonyms: Benzeneethanamine,N-(3-chloropropyl)-a-methyl-, hydrochloride (9CI); Phenethylamine, N-(3-chloropropyl)-a-methyl-, hydrochloride(7CI,8CI); Incital; Mefenorex hydrochloride;N-(3-Chloropropyl)-1-methyl-2-phenylethylamine hydrochloride;N-Chloropropylamphetamine hydrochloride; NSC 133749; Pondinil; Pondinol; R4-5282; Ro 4-5282
Density: g/cm3
Melting Point: 128-130°
Boiling Point: 305.1°Cat760mmHg
Flash Point: 138.3°C
Safety: Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
PSA: 12.03000
LogP: 4.02900
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Chemistry

Product Name: Pondinil (CAS NO.5586-87-8)


Molecular Formula:  C12H19Cl2N
Molecular Weight: 248.19196g/mol
Mol File: 5586-87-8.mol
Boiling point: 305.1 °C at 760 mmHg
Flash Point: 138.3 °C
Enthalpy of Vaporization: 54.55 kJ/mol
Vapour Pressure: 0.000841 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 1
Structure Descriptors of Pondinil (CAS NO.5586-87-8):
  IUPAC Name: N-(3-chloropropyl)-1-phenylpropan-2-amine hydrochloride
  Canonical SMILES: CC(CC1=CC=CC=C1)NCCCCl.Cl
  InChI: InChI=1S/C12H18ClN.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,8-10H2,1H3;1H 
  InChIKey: IDHNGYVCZUQHFV-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 144mg/kg (144mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 356, 1972.
mouse LD50 intravenous 49mg/kg (49mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 356, 1972.
mouse LD50 oral 230mg/kg (230mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 748, 1969.
mouse LD50 subcutaneous 180mg/kg (180mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 748, 1969.
rabbit LD50 oral 236mg/kg (236mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 356, 1972.
rat LD50 intravenous 35mg/kg (35mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 748, 1969.
rat LD50 oral 410mg/kg (410mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 748, 1969.

Safety Profile

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

Specification

 Pondinil ,its CAS NO. is 5586-87-8,the synonyms is Doracil ; EINECS 226-985-9 ; Incital ; Mefenorex HCl ; Mefenorex hydrochloride ; N-(3-Chloropropyl)-alpha-methylphenethylamine hydrochloride ; N-(3-Chlorpropyl)-1-methyl-2-phenyl-aethylamin-hydrochlorid ; N-Chloropropylamphetamine hydrochloride ; NSC 133749 ; Rondimen ; UNII-6X1N18AU15 ; Benzeneethanamine, N-(3-chloropropyl)-alpha-methyl-, hydrochloride ; N-(3-Chloropropyl)-alpha-methylphenethylamine hydrochloride ; Phenethylamine, N-(3-chloropropyl)-alpha-methyl-, hydrochloride .