CAS No.167484-18-6,1'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4'-PIPERIDINE) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	167484-18-6
Name:	1'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4'-PIPERIDINE)
Article Data:	16

Formula:	C₂₀H₂₂N₂O₂
Molecular Weight:	322.407
Synonyms:	1,2-Dihydrospiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid phenylmethyl ester;1'-(Benzyloxycarbonyl)spiro(indoline-3,4'-piperidine);Benzyl spiro[indoline-3,4'-piperidine]-1'-carboxylate;
Density:	1.237 g/cm³
Melting Point:	118-120 °C
Boiling Point:	505.157 °C at 760 mmHg
Flash Point:	259.31 °C
PSA:	41.57000
LogP:	3.85840

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Specification

The Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid, 1,2-dihydro-, phenylmethyl ester, with CAS registry number 167484-18-6, has the systematic name of benzyl 1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate. And the chemical formula of this chemical is C₂₀H₂₂N₂O₂.

Physical properties of Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid, 1,2-dihydro-, phenylmethyl ester: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 116; (6)ACD/BCF (pH 7.4): 221; (7)ACD/KOC (pH 5.5): 865; (8)ACD/KOC (pH 7.4): 1653; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 93.817 cm³; (15)Molar Volume: 260.591 cm³; (16)Polarizability: 37.192×10^-24cm³; (17)Surface Tension: 56.243 dyne/cm; (18)Density: 1.237 g/cm³; (19)Flash Point: 259.31 °C; (20)Enthalpy of Vaporization: 77.477 kJ/mol; (21)Boiling Point: 505.157 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N4CCC3(c2c(cccc2)NC3)CC4
(2)InChI: InChI=1/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2
(3)InChIKey: XJUPGFXGJQIYQG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2
(5)Std. InChIKey: XJUPGFXGJQIYQG-UHFFFAOYSA-N