-
Name
Carbamic acid, 3-furanyl-, 1,1-dimethylethyl ester (9CI)
- EINECS
- CAS No. 56267-48-2
- Article Data13
- CAS DataBase
- Density 1.136 g/cm3
- Solubility
- Melting Point 135-137 °C
- Formula C9H13NO3
- Boiling Point 205.3 °C at 760 mmHg
- Molecular Weight 183.20442
- Flash Point 78 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Carbamicacid, 3-furanyl-, 1,1-dimethylethyl ester (9CI);tert-Butyl 3-furancarbamate;tert-Butyl 3-furanylcarbamate;carbamic acid, N-3-furanyl-, 1,1-dimethylethyl ester;Furan-3-yl-carbamic acid tert-butyl ester;tert-Butyl furan-3-ylcarbamate;
- PSA 51.47000
- LogP 2.69960
tert-Butyl furan-3-ylcarbamate Specification
The Carbamic acid,N-3-furanyl-, 1,1-dimethylethyl ester, with the CAS registry number 56267-48-2, has the systematic name of tert-Butyl 3-furylcarbamate. It belongs to the product category of N-BOC. And the molecular formula of the chemical is C9H13NO3.
The characteristics of Carbamic acid,N-3-furanyl-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.71; (6)ACD/BCF (pH 7.4): 25.71; (7)ACD/KOC (pH 5.5): 355.64; (8)ACD/KOC (pH 7.4): 355.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.47 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 48.43 cm3; (15)Molar Volume: 161.2 cm3; (16)Polarizability: 19.2×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 78 °C; (20)Enthalpy of Vaporization: 44.16 kJ/mol; (21)Boiling Point: 205.3 °C at 760 mmHg; (22)Vapour Pressure: 0.251 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ccoc1
(2)InChI: InChI=1/C9H13NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h4-6H,1-3H3,(H,10,11)
(3)InChIKey: SBFLPNJYWRKWFT-UHFFFAOYAC
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