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223559-44-2

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Basic Information
CAS No.: 223559-44-2
Name: 6-ACETYLAMINO-4-OXO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN
Article Data: 2
Molecular Structure:
Molecular Structure of 223559-44-2 (6-ACETYLAMINO-4-OXO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN)
Formula: C20H26N2O5
Molecular Weight: 374.43
Synonyms: N-[1'-(tert-Butoxycarbonyl)-4-oxospiro[chroman-2,4'-piperidin]-6-yl]acetamide;tert-Butyl 6-acetamido-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate;
Density: 1.25 g/cm3
Boiling Point: 583.9 °C at 760 mmHg
Flash Point: 306.9 °C
PSA: 84.94000
LogP: 3.39080
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Specification

The CAS registry number of Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylicacid, 6-(acetylamino)-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester is 223559-44-2. The systematic name is tert-butyl 6-acetamido-4-oxo-spiro[chroman-2,4'-piperidine]-1'-carboxylate. In addition, the molecular formula is C20H26N2O5 and the molecular weight is 374.43. What's more, it should be stored in a cool and dry place.

Physical properties about Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylicacid, 6-(acetylamino)-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)#H bond acceptors: 7; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 84.94 Å2; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 98.86 cm3; (11)Molar Volume: 298.5 cm3; (12)Polarizability: 39.19 ×10-24cm3; (13)Surface Tension: 52.9 dyne/cm; (14)Density: 1.25 g/cm3; (15)Flash Point: 306.9 °C; (16)Enthalpy of Vaporization: 87.26 kJ/mol; (17)Boiling Point: 583.9 °C at 760 mmHg; (18)Vapour Pressure: 1.27E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Nc1cc3c(cc1)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC3=O
(2)InChI: InChI=1/C20H26N2O5/c1-13(23)21-14-5-6-17-15(11-14)16(24)12-20(26-17)7-9-22(10-8-20)18(25)27-19(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,21,23)
(3)InChIKey: RRCRRZBDYWNZSF-UHFFFAOYAH