CAS No.2594-21-0,METHYL N-N-BUTYLCARBAMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2594-21-0
Name:	METHYL N-N-BUTYLCARBAMATE
Article Data:	6

Formula:	C₆H₁₃NO₂
Molecular Weight:	131.175
Synonyms:	Methyl butylcarbamate;N-Butylcarbamic acid methyl ester;Methyl N-butylcarbamate;Carbamic acid,butyl-,methyl ester;
Density:	0.937 g/cm³
Melting Point:	-18°C
Boiling Point:	192.3 °C at 760 mmHg
Flash Point:	70.1 °C
PSA:	38.33000
LogP:	1.53340

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Specification

The Carbamic acid,N-butyl-,methyl ester, with the CAS registry number of 2594-21-0, is also known as N-Butylcarbamic acid methyl ester. The molecular formula of this chemical is C₆H₁₃NO₂ and its molecular weight is 131.17. What's more, its IUPAC name is Methyl N-butylcarbamate.

Physical properties about Carbamic acid,N-butyl-,methyl ester are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.87; (6)ACD/BCF (pH 7.4): 7.87; (7)ACD/KOC (pH 5.5): 152.35; (8)ACD/KOC (pH 7.4): 152.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 35.21 cm³; (15)Molar Volume: 139.8 cm³; (16)Polarizability: 13.96×10^-24 cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.937 g/cm³; (19)Flash Point: 70.1 °C; (20)Enthalpy of Vaporization: 42.85 kJ/mol; (21)Boiling Point: 192.3 °C at 760 mmHg; (22)Vapour Pressure: 0.492 mmHg at 25 °C.

Preparation of Carbamic acid,N-butyl-,methyl ester: this chemical is prepared by reaction of 1-Isocyanato-butane with Methanol. The reaction needs reagent Ph₃PbOMe.

The Carbamic acid,N-butyl-,methyl ester can be obtained by 1-Isocyanato-butane and Methanol.

Uses of Carbamic acid,N-butyl-,methyl ester: it is used to produce other chemicals. For example, it can react with Iodomethyl-trimethyl-silane to produce Butyl-trimethylsilanylmethyl-carbamic acid methyl ester. This reaction needs reagent NaH. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 14.5 hours with reaction temperature of 60 °C. The yield is about 76 %.

Carbamic acid,N-butyl-,methyl ester can be used to produce Butyl-trimethylsilanylmethyl-carbamic acid methyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)NCCCC
(2) InChI: InChI=1/C6H13NO2/c1-3-4-5-7-6(8)9-2/h3-5H2,1-2H3,(H,7,8)
(3) InChIKey: NYVDNVCZHTXXMW-UHFFFAOYAN