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38094-02-9

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Basic Information
CAS No.: 38094-02-9
Name: N-[(1E)-3-hydroxyprop-1-en-1-yl]-N,N-dimethyldodecan-1-aminium chloride
Molecular Structure:
Molecular Structure of 38094-02-9 (N-[(1E)-3-hydroxyprop-1-en-1-yl]-N,N-dimethyldodecan-1-aminium chloride)
Formula: C17H35NO•Cl
Molecular Weight: 304.98
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Cl−.
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Chemistry

IUPAC Name: Dodecyl-[(E)-3-hydroxyprop-1-enyl]-dimethylazanium chloride
Synonyms of N,N-Dimethyl-n-dodecyl(3-hydroxypropenyl) ammonium chloride (CAS NO.38094-02-9): Ammonium, dodecyldimethyl(3-hydroxypropenyl)-, chloride
InChI: InChI=1/C17H36NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-19;/h14,16,19H,4-13,15,17H2,1-3H3;1H/q+1;/p-1/b16-14+;
InChIKey: ZQNIKUGQABQQKK-UMUCRJPDBN
Std. InChI: InChI=1S/C17H36NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-19;/h14,16,19H,4-13,15,17H2,1-3H3;1H/q+1;/p-1/b16-14+;
Std. InChIKey: ZQNIKUGQABQQKK-BACBYAOASA-M
CAS NO: 38094-02-9
Molecular Formula: C17H36ClNO
Molecular Weight: 305.9268
Molecular Structure :
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 14
Polar Surface Area: 9.23 Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 89mg/kg (89mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 1070mg/kg (1070mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Safety Profile

Poison by skin contact. Moderately toxic by ingestion. When N,N-Dimethyl-n-dodecyl(3-hydroxypropenyl) ammonium chloride (CAS NO.38094-02-9) is heated to decomposition, it emits very toxic fumes of NOx, NH3, and Cl−.