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Basic Information
CAS No.: 3983-40-2
Name: N,N,N-trimethyl-4-[(methylcarbamoyl)oxy]anilinium iodide
Molecular Structure:
Molecular Structure of 3983-40-2 (N,N,N-trimethyl-4-[(methylcarbamoyl)oxy]anilinium iodide)
Formula: C11H17N2O2•I
Molecular Weight: 336.20
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NH3, NOx and I−. See also IODIDES and CARBAMATES.
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Chemistry

Molecular Structure of Ammonium, (p-hydroxyphenyl)trimethyl-, iodide, methylcarbamate (CAS NO. 3983-40-2):
IUPAC Name: Trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium iodide 
Molecular Formula: C11H17IN2O2
Molecular Weight: 336.169350 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C.[I-]
InChI: InChI=1S/C11H16N2O2.HI/c1-12-11(14)15-10-7-5-9(6-8-10)13(2,3)4;/h5-8H,1-4H3;1H
InChIKey: MQDIHPDDANDCSL-UHFFFAOYSA-N
Polar Surface Area of Ammonium, (p-hydroxyphenyl)trimethyl-, iodide, methylcarbamate (CAS NO. 3983-40-2): 29.54 Å2

Toxicity Data With Reference

1.    

orl-mus LDLo:50 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 43 (1931),413.
2.    

scu-mus LD50:50 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 .
3.    

ivn-mus LD80:2 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 .

Safety Profile

Poison by ingestion, subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NH3, NOx and I−. See also IODIDES and CARBAMATES.

Specification

  Ammonium, (p-hydroxyphenyl)trimethyl-, iodide, methylcarbamate with cas registry number of 3983-40-2 is also known as AR-17 ; Ammonium, ((p-methylcarbamoyloxy)phenyl)trimethyl-, iodide ; Ammonium, (4-(N-methylcarbamoyloxy)phenyl)trimethyl-, iodide ; Carbamic acid, N-methyl-, 4-dimethylaminophenyl ester, methiodide ; Carbamic acid, N-methyl-, p-(trimethylammonio)phenyl ester, iodide ; Methiodide of N-methylurethane of 4-dimethylaminophenol ; Methylcarbamic ester of p-oxyphenyltrimethylammonium iodide ; NSC 127880 ; T-1088 ; TL-1097 .