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CAS No.: | 56267-47-1 |
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Name: | TERT-BUTYL N-(2-FURYL)CARBAMATE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C9H13NO3 |
Molecular Weight: | 183.207 |
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; |
Density: | 1.136 g/cm3 |
Melting Point: | 98 °C |
Boiling Point: | 205.3 °C at 760 mmHg |
Flash Point: | 78 °C |
Hazard Symbols: | Xi,T |
Risk Codes: | 24/25 |
Safety: | white to light yellow crystal powder |
PSA: | 51.47000 |
LogP: | 2.69960 |
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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