Benzoic acid, 4-[[(dimethylamino)carbonyl]amino]- supplier

Name
4-(3,3-DIMETHYL-UREIDO)BENZOIC ACID
EINECS
CAS No. 91880-51-2
Density 1.311 g/cm³
Solubility
Melting Point 212-216 °C
Formula C₁₀H₁₂N₂O₃
Boiling Point 450.5 °C at 760 mmHg
Molecular Weight 208.217
Flash Point 226.3 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-(3,3-dimethylureido)- (6CI,7CI);NSC 508664;
PSA 69.64000
LogP 1.55130

Benzoic acid, 4-[[(dimethylamino)carbonyl]amino]- Specification

This chemical is called Benzoic acid, 4-[[(dimethylamino)carbonyl]amino]-, and its systematic name is 4-[(dimethylcarbamoyl)amino]benzoic acid. With the molecular formula of C₁₀H₁₂N₂O₃, its molecular weight is 208.21. The CAS registry number of this chemical is 91880-51-2.

Other characteristics of the Benzoic acid, 4-[[(dimethylamino)carbonyl]amino]- can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.34; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.85 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 55.8 cm³; (13)Molar Volume: 158.8 cm³; (14)Polarizability: 22.12×10^-24cm³; (15)Surface Tension: 58.1 dyne/cm; (16)Density: 1.311 g/cm³; (17)Flash Point: 226.3 °C; (18)Enthalpy of Vaporization: 74.76 kJ/mol; (19)Boiling Point: 450.5 °C at 760 mmHg; (20)Vapour Pressure: 6.64E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(cc1)C(=O)O)N(C)C
2.InChI: InChI=1/C10H12N2O3/c1-12(2)10(15)11-8-5-3-7(4-6-8)9(13)14/h3-6H,1-2H3,(H,11,15)(H,13,14)
3.InChIKey: IIWJGCYPFFTHDB-UHFFFAOYAN

Product Name

4-(3,3-DIMETHYL-UREIDO)BENZOIC ACID

Benzoic acid, 4-[[(dimethylamino)carbonyl]amino]- Specification

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