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Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester

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Name

Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester

EINECS N/A
CAS No. 56267-47-1 Density 1.136 g/cm3
PSA 51.47000 LogP 2.69960
Solubility N/A Melting Point 98 °C
Formula C9H13NO3 Boiling Point 205.3 °C at 760 mmHg
Molecular Weight 183.207 Flash Point 78 °C
Transport Information N/A Appearance N/A
Safety white to light yellow crystal powder Risk Codes 24/25
Molecular Structure Molecular Structure of 56267-47-1 (TERT-BUTYL N-(2-FURYL)CARBAMATE) Hazard Symbols Xi,T
Synonyms

Carbamicacid, 2-furanyl-, 1,1-dimethylethyl ester (9CI);2-(Boc-amino)furan;2-(tert-Butoxycarbonylamino)furan;NSC 250629;tert-Butyl 2-furylcarbamate;tert-Butyl N-(2-furyl)carbamate;tert-butyl furan-2-ylcarbamate;carbamic acid, N-2-furanyl-, 1,1-dimethylethyl ester;Furan-3-yl-carbamic acid tert-butyl ester;tert-Butyl N-(2-furyl)carbamate;

Article Data 13

Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-2-furanyl-, 1,1-dimethylethyl ester, with the CAS registry number 56267-47-1, has the systematic name of tert-butyl furan-2-ylcarbamate. It is a kind of white to light yellow crystal powder, and belongs to the product categories of N-BOC and Furan & Benzofuran. And the molecular formula of the chemical is C9H13NO3. What's more, while dealing with this chemical, you should not try to avoid contacting with skin and eyes.

The characteristics of Carbamic acid,N-2-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: O=C(OC(C)(C)C)Nc1occc1
(2)InChI: InChI=1/C9H13NO3/c1-9(2,3)13-8(11)10-7-5-4-6-12-7/h4-6H,1-3H3,(H,10,11)
(3)InChIKey: QUPYDDORIVFDHP-UHFFFAOYAM

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