CAS No.51513-29-2,METHYL CARBAMOYLACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51513-29-2
Name:	METHYL CARBAMOYLACETATE
Article Data:	7

Formula:	C₄H₇NO₃
Molecular Weight:	117.104
Synonyms:	Methyl malonate monoamide;Malonic acid monomethyl ester monoamide;
Density:	1.184 g/cm³
Melting Point:	39-44 °C
Boiling Point:	263.7 °C at 760 mmHg
Flash Point:	161.2 °C
Safety:	22-24/25
PSA:	69.39000
LogP:	-0.26490

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Specification

The Methyl malonamate with its cas register number is 51513-29-2. It also can be called as Malonic acid monomethyl ester monoamide and the Systematic name about this chemical is Malonic acid monomethyl ester monoamide. When you are using it, please avoid contact with skin and eyes and not breathe dust.

Physical properties about Methyl malonamate are: (1)ACD/LogP: -1.13; (2)ACD/LogD (pH 5.5): -1.13; (3)ACD/LogD (pH 7.4): -1.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.75; (7)ACD/KOC (pH 7.4): 5.75; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61Å²; (12)Index of Refraction: 1.437; (13)Molar Refractivity: 25.92 cm³; (14)Molar Volume: 98.8 cm³; (15)Polarizability: 10.27x10^-24cm³; (16)Surface Tension: 41 dyne/cm; (17)Enthalpy of Vaporization: 50.16 kJ/mol; (18)Vapour Pressure: 0.0101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CC(=O)OC
(2)InChI: InChI=1/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6)
(3)InChIKey: LSNSJCKGQREPDW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6)
(5)Std. InChIKey: LSNSJCKGQREPDW-UHFFFAOYSA-N