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77985-32-1

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Basic Information
CAS No.: 77985-32-1
Name: N-(2-(Pyrrolidinyl)ethyl)carbamic acid, 2,6-xylyl ester hydrochloride
Molecular Structure:
Molecular Structure of 77985-32-1 (N-(2-(Pyrrolidinyl)ethyl)carbamic acid, 2,6-xylyl ester hydrochloride)
Formula: C15H22 N2 O2 . Cl H
Molecular Weight: 298.85
Synonyms: Carbamicacid, [2-(1-pyrrolidinyl)ethyl]-, 2,6-xylyl ester, hydrochloride (6CI)
Boiling Point: 379.7°C at 760 mmHg
Flash Point: 183.4°C
Safety: Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.
PSA: 45.06000
LogP: 3.43190
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  • (2,6-dimethylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride

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    77985-32-1

    (2,6-dimethylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:clear light yellow liquid Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use

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Chemistry

IUPAC Name: (2,6-Dimethylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Synonyms of N-(2-(Pyrrolidinyl)ethyl)carbamic acid, 2,6-xylyl ester hydrochloride (CAS NO.77985-32-1): Carbamic acid, N-(2-(pyrrolidinyl)ethyl)-, 2,6-xylyl ester, hydrochloride
InChI: InChI=1/C15H22N2O2.ClH/c1-12-6-5-7-13(2)14(12)19-15(18)16-8-11-17-9-3-4-10-17;/h5-7H,3-4,8-11H2,1-2H3,(H,16,18);1H
InChIKey: LPSIOSVRMVJCEE-UHFFFAOYAH
Std. InChI: InChI=1S/C15H22N2O2.ClH/c1-12-6-5-7-13(2)14(12)19-15(18)16-8-11-17-9-3-4-10-17;/h5-7H,3-4,8-11H2,1-2H3,(H,16,18);1H
Std. InChIKey: LPSIOSVRMVJCEE-UHFFFAOYSA-N
CAS NO: 77985-32-1
Molecular Formula: C15H23ClN2O2
Molecular Weight: 298.8083
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 29.54 Å2
Flash Point: 183.4 °C
Enthalpy of Vaporization: 62.78 kJ/mol
Boiling Point: 379.7 °C at 760 mmHg
Vapour Pressure: 5.74E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 175mg/kg (175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958.
rat LD50 intraperitoneal 45mg/kg (45mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. When N-(2-(Pyrrolidinyl)ethyl)carbamic acid, 2,6-xylyl ester hydrochloride (CAS NO.77985-32-1) is heated to decomposition, it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.