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546-48-5

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Basic Information
CAS No.: 546-48-5
Name: 1-Methoxy-2-propyl propanoate
Molecular Structure:
Molecular Structure of 546-48-5 (1-Methoxy-2-propyl propanoate)
Formula: C10H21N•C4H6O6
Molecular Weight: 305.42
Synonyms: PEMPIDINE TARTRATE;PIRILENE;PMP;1,2,2,6,6-pentamethylpiperidinetartrate;1,2,2,6,6-pentamethyl-piperidintartrate(1:1);pempidinatartrato;pempidinebitartrate;piperidine,1,2,2,6,6-pentamethyl-,(r-(r*,r*))-2,3-dihydroxybutanedioate(1:
Density: g/cm3
Melting Point: 150-151 °C(lit.)
Boiling Point: 178°C
Flash Point: 50°C
Hazard Symbols: Xn
Risk Codes: R22
Safety: Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 118.30000
LogP: 0.47460
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Chemistry

Product Name: Pempidine tartrate (CAS NO.546-48-5)


Molecular Formula: C10H21N•C4H6O6
Molecular Weight: 305.42g/mol
Mol File: 546-48-5.mol
Boiling point: 147 °C at 760 mmHg
Flash Point: 50 °C
Enthalpy of Vaporization: 38.4 kJ/mol
Vapour Pressure: 4.52 mmHg at 25°C
H-Bond Donor: 4
H-Bond Acceptor: 7
Structure Descriptors of Pempidine tartrate (CAS NO.546-48-5):
  IUPAC Name: 2,3-dihydroxybutanedioic acid; 1,2,2,6,6-pentamethylpiperidine
  Canonical SMILES: CC1(CCCC(N1C)(C)C)C.C(C(C(=O)O)O)(C(=O)O)O
  InChI: InChI=1S/C10H21N.C4H6O6/c1-9(2)7-6-8-10(3,4)11(9)5;5-1(3(7)8)2(6)4(9)10/h6-8H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10) 
  InChIKey: AAFNEINEQRQMTF-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 164mg/kg (164mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 501, 1958.
mouse LD50 intravenous 113mg/kg (113mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 501, 1958.
mouse LD50 oral 400mg/kg (400mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 490, 1964.
mouse LD50 subcutaneous 230mg/kg (230mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 490, 1964.

Safety Profile

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

Specification

 Pempidine tartrate , its CAS NO. is 546-48-5, the synonyms are 1,2,2,6,6-Pentamethylpiperidine tartrate ; EINECS 208-902-8 ; Pempidine bitartrate ; Pempidine tartrate ; Sinapleg ; Synapleg ; Pempidine hydrogen tartrate ; Piperidine, 1,2,2,6,6-pentamethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (9CI) ; Piperidine, 1,2,2,6,6-pentamethyl-, tartrate (1:1) .