Molecular Structure of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, methylcarbamate (CAS NO. 3983-39-9):
IUPAC Name: Trimethyl-[3-(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=CC(=C1)[N+](C)(C)C.[I-]
InChI: InChI=1S/C11H16N2O2.HI/c1-12-11(14)15-10-7-5-6-9(8-10)13(2,3)4;/h5-8H,1-4H3;1H
InChIKey: MIAARRZWMRMHIS-UHFFFAOYSA-N
Polar Surface Area of Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, methylcarbamate (CAS NO. 3983-39-9): 29.54 Å2
1. | scu-rat LDLo:500 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
2. | scu-mus LD50:270 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
3. | ivn-mus LD50:115 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
4. | scu-dog LDLo:1 mg/kg | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report No. 9-4-1-19 ,1944. | ||
5. | scu-cat LDLo:500 µg/kg | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report No. 9-4-1-19 ,1944. | ||
6. | scu-rbt LD50:260 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
7. | scu-gpg LDLo:250 µg/kg | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report No. 9-4-1-19 ,1944. |
A deadly poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NH3, NOx, and I−. See also IODIDES, CARBAMATES, and ESTERS.
Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, methylcarbamate with cas registry number of 3983-39-9 is also called for Ammonium, (3-(methylcarbamoyloxy)phenyl)trimethyl-, iodide ; Carbamic acid, methyl-, (m-(trimethylammonio)phenyl) ester, iodide ; Methiodide of N-methylurethane of 3-dimethylaminophenol ; T-1152 ; TL 1178 .
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