CAS No.16118-49-3,CARBETAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16118-49-3
Name:	CARBETAMIDE

Formula:	C₁₂H₁₆N₂O₃
Molecular Weight:	236.30
Synonyms:	Lactamide,N-ethyl-, carbanilate (ester), D- (8CI);Propanamide,N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-;11561RP;Carbetamex;Carbetamide;Carbethamide;Legurame PM;RP 11561;
EINECS:	240-286-6
Density:	1.174 g/cm³
Melting Point:	119oC
Boiling Point:	378.4 °C at 760 mmHg
Flash Point:	182.6 °C
Solubility:	3.5g/L(20 oC)
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	67.43000
LogP:	2.22360

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Specification

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:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	oral	900mg/kg (900mg/kg)	Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 80, 1973.
mouse	LD50	oral	1200mg/kg (1200mg/kg)	Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 80, 1973.
rabbit	LDLo	skin	> 500mg/kg (500mg/kg)	Pesticide Manual. Vol. 9, Pg. 125, 1991.
rat	LC50	inhalation	> 130mg/m³/4H (130mg/m³)	"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A059, Pg. 1983,
rat	LD50	oral	11000mg/kg (11000mg/kg)	"Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 83, 1977.