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1003-40-3

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Basic Information
CAS No.: 1003-40-3
Name: tert-Butyl 4-?(2-?ethoxy-?2-?oxoethyl)?piperidine-?1-?carboxylate
Molecular Structure:
Molecular Structure of 1003-40-3 (tert-Butyl 4-?(2-?ethoxy-?2-?oxoethyl)?piperidine-?1-?carboxylate)
Formula: C5H6 N2 . Cl H
Molecular Weight: 130.577
Synonyms: 4-Pyridinamine,monohydrochloride (9CI); Pyridine, 4-amino-, monohydrochloride (8CI);4-Aminopyridine hydrochloride; Pimadin; Pimadin (analeptic); Pimadine
Density: g/cm3
Boiling Point: 255.2°Cat760mmHg
Flash Point: 131.8°C
Safety: Poison by ingestion, skin contact and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.
PSA: 38.91000
LogP: 2.04700
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Chemistry

Product Name: 4-Aminopyridine hydrochloride (CAS NO.1003-40-3)


Molecular Formula: C5H6N2•ClH
Molecular Weight: 130.59g/mol
Mol File: 1003-40-3.mol
Boiling point: 255.2 °C at 760 mmHg
Flash Point: 131.8 °C
Enthalpy of Vaporization: 49.27 kJ/mol
Vapour Pressure: 0.0165 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of 4-Aminopyridine hydrochloride (CAS NO.1003-40-3):
  IUPAC Name: Pyridin-4-amine hydrochloride
  Canonical SMILES: C1=CN=CC=C1N.Cl
  InChI: InChI=1S/C5H6N2.ClH/c6-5-1-3-7-4-2-5;/h1-4H,(H2,6,7);1H 
  InChIKey: CBFZWGRQXZYRRR-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 2377mg/kg (2377mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.
mouse LD50 subcutaneous 11900ug/kg (11.9mg/kg)   Eksperimentalna Meditsina i Morfologiya. Vol. 18, Pg. 98, 1979.
pig LD50 oral 3547mg/kg (3547mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.
rabbit LDLo skin 327mg/kg (327mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 93, 1969.
rat LD50 intravenous 6700ug/kg (6.7mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 236, Pg. 149, 1959.
rat LD50 oral 32mg/kg (32mg/kg)   Pest Control. Vol. 33, Pg. 16, 1965.
rat LD50 subcutaneous 10130ug/kg (10.13mg/kg)   Eksperimentalna Meditsina i Morfologiya. Vol. 18, Pg. 98, 1979.

Safety Profile

Poison by ingestion, skin contact and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Specification

 4-Aminopyridine hydrochloride , its CAS NO. is 1003-40-3, the synonyms are 4-Pyridinamine hydrochloride ; NSC 206404 ; 4-Pyridinamine, monohydrochloride (9CI) ; Pyridine, 4-amino-, hydrochloride .