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14144-91-3

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Basic Information
CAS No.: 14144-91-3
Name: N-Methylcarbamic acid 3-(dimethylamino)-4-methylphenyl ester
Molecular Structure:
Molecular Structure of 14144-91-3 (N-Methylcarbamic acid 3-(dimethylamino)-4-methylphenyl ester)
Formula: C11H16 N2 O2
Molecular Weight: 208.26
Synonyms: Carbamicacid, methyl-, 3-(dimethylamino)-p-tolyl ester (7CI,8CI); Phenol,3-(dimethylamino)-4-methyl-, methylcarbamate (ester) (9CI); p-Cresol,3-(dimethylamino)-, methylcarbamate (ester) (8CI); 3-(Dimethylamino)-p-tolylmethylcarbamate; BAY 42696
Density: 1.095g/cm3
Boiling Point: 307.6°C at 760 mmHg
Flash Point: 139.8°C
Safety: Poison by ingestion and subcutaneous routes. A strong oxidizing agent. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.
PSA: 41.57000
LogP: 2.17010
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    14144-91-3

    Phenol,3-(dimethylamino)-4-methyl-, 1-(N-methylcarbamate)

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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Chemistry

Molecule structure of 5-Dimethylamino-4-tolyl methylcarbamate (CAS NO.14144-91-3):

IUPAC Name: [3-(Dimethylamino)-4-methylphenyl] N-methylcarbamate 
Molecular Weight: 208.25694 g/mol
Molecular Formula: C11H16N2O2 
Density: 1.095 g/cm3 
Boiling Point: 307.6 °C at 760 mmHg 
Flash Point: 139.8 °C
Index of Refraction: 1.547
Molar Refractivity: 60.32 cm3
Molar Volume: 190.1 cm3
Polarizability: 23.91×10-24 cm3
Surface Tension: 39.4 dyne/cm 
Enthalpy of Vaporization: 54.82 kJ/mol
Vapour Pressure: 0.000716 mmHg at 25 °C
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 208.121178
MonoIsotopic Mass: 208.121178
Topological Polar Surface Area: 41.6
Heavy Atom Count: 15
Complexity: 219
Canonical SMILES: CC1=C(C=C(C=C1)OC(=O)NC)N(C)C
InChI: InChI=1S/C11H16N2O2/c1-8-5-6-9(15-11(14)12-2)7-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)
InChIKey: SOANVOIJXGSERP-UHFFFAOYSA-N
Classification Code of 5-Dimethylamino-4-tolyl methylcarbamate (CAS NO.14144-91-3): Agricultural Chemical; Insecticide

Toxicity Data With Reference

1.    

orl-rat LD50:46 mg/kg

     ATXKA8    Archiv fuer Toxikologie. 27 (1971),311.
2.    

scu-mus LDLo:20 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 and subcutaneous routes. A strong oxidizing agent. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.

Specification

 5-Dimethylamino-4-tolyl methylcarbamate (CAS NO.14144-91-3) is also named as 3-13-00-01573 (Beilstein Handbook Reference) ; AI3-27108 ; BAY 42696 ; BRN 2731714 ; Bayer 42696 ; Carbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester ; TL-1187 ; Carbamic acid, methyl-, 3-(dimethylamino)-p-tolyl ester ; Phenol, 3-(dimethylamino)-4-methyl-, methylcarbamate (ester) (9CI) .