Basic information
- Name:
Carbamic acid,N-butyl-,methyl ester
- CAS No.:
2594-21-0
- Molecular Structure:
- Formula:
- C6H13NO2
- Molecular Weight:
- 131.17
- Synonyms:
- Methyl butylcarbamate;N-Butylcarbamic acid methyl ester;Methyl N-butylcarbamate;Carbamic acid,butyl-,methyl ester;
- Density:
- 0.937 g/cm3
- Boiling Point:
- 192.3 °C at 760 mmHg
- Flash Point:
- 70.1 °C
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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.
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 %.
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