Molecular Structure of Ammonium, diethyl(m-hydroxyphenyl)methyl-, methyl sulfate, methylcarbamate (CAS NO. 63957-59-5):
IUPAC Name: Diethyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium; methyl sulfate
Molecular Formula: C14H24N2O6S
Molecular Weight: 348.415160 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 6
Canonical SMILES: CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)NC.COS(=O)(=O)[O-]
InChI: InChI=1S/C13H20N2O2.CH4O4S/c1-5-15(4,6-2)11-8-7-9-12(10-11)17-13(16)14-3;1-5-6(2,3)4/h7-10H,5-6H2,1-4H3;1H3,(H,2,3,4)
InChIKey: VQTMWBHSVAYKSS-UHFFFAOYSA-N
Polar Surface Area of Ammonium, diethyl(m-hydroxyphenyl)methyl-, methyl sulfate, methylcarbamate (CAS NO. 63957-59-5): 29.54 Å2
1. | scu-mus LD50:100 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
2. | scu-cat LDLo:100 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
3. | scu-rbt LDLo:50 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
4. | scu-gpg LDLo:50 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . |
A deadly poison by subcutaneous route. When heated to decomposition it emits toxic fumes of SOx, NH3, and NOx. See also CARBAMATES.
Ammonium, diethyl(m-hydroxyphenyl)methyl-, methyl sulfate, methylcarbamate with cas registry number of 63957-59-5 is also called for Ammonium, (3-(N-carbamoyloxy)phenyl)diethylmethyl-, methosulfate ; Ammonium, (m-hydroxyphenyl)diethylmethyl-, methosulfate, methylcarbamate ; Carbamic acid, N-methyl-, 3-diethylaminophenyl ester, dimethylsulfate ; Carbamic acid, N-methyl-, 3-diethylaminophenyl ester, methosulfate ; Carbamic acid, methyl-, m-(diethylmethylammonio)phenyl ester, methosulfate ; TL-1317 .
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