CARBETAMIDE

The Carbetamide, with the CAS registry number 16118-49-3, is also known as (R)-N-Ethyl-2-(((phenylamino)carbonyl)oxy)propanamide. Its EINECS registry number is 240-286-6. This chemical's molecular formula is C₁₂H₁₆N₂O₃ and molecular weight is 236.27. Its IUPAC name is called [(2S)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate. This chemical's classification codes are Agricultural Chemical; Herbicide. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes. What's more, it should be kept closeness, avoid light, in the cool dry place. It can be used as selective herbicide.

Physical properties of Carbetamide: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.43; (6)ACD/BCF (pH 7.4): 8.43; (7)ACD/KOC (pH 5.5): 160.02; (8)ACD/KOC (pH 7.4): 160.03; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 64.38 cm³; (14)Molar Volume: 201.2 cm³; (15)Surface Tension: 44.6 dyne/cm; (16)Density: 1.174 g/cm³; (17)Flash Point: 182.6 °C; (18)Enthalpy of Vaporization: 62.63 kJ/mol; (19)Boiling Point: 378.4 °C at 760 mmHg; (20)Vapour Pressure: 6.31E-06 mmHg at 25°C.

Preparation of Carbetamide: Firstly, alpha-hydroxy propionic acid methyl ester and ethylamine can produce N-ethyl-alpha-hydroxy ethyl amide, then again with phenyl isocyanate can produce Carbetamide.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1
(2)Isomeric SMILES: CCNC(=O)[C@H](C)OC(=O)NC1=CC=CC=C1
(3)InChI: InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
(4)InChIKey: AMRQXHFXNZFDCH-VIFPVBQESA-N

The toxicity data is as follows: