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| CAS No.: | 185527-11-1 |
|---|---|
| Name: | 3-AMINO-4'-N-BOC-SPIRO-INDANE-PIPERIDINE |
| Molecular Structure: | |
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| Formula: | C18H26N2O2 |
| Molecular Weight: | 302.417 |
| Synonyms: | tert-Butyl 3-amino-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate; |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 431.3 °C at 760 mmHg |
| Flash Point: | 214.6 °C |
| PSA: | 55.56000 |
| LogP: | 3.99700 |
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Specification
The Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 3-amino-2,3-dihydro-, 1,1-dimethylethyl ester, with the CAS registry number 185527-11-1, is also known as tert-Butyl 3-amino-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate. This chemical's molecular formula is C18H26N2O2 and molecular weight is 302.4112. What's more, its systematic name is tert-Butyl 3-amino-2,3-dihydro-1'H-spiro[indene-1,4'-piperidine]-1'-carboxylate.
Physical properties about Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 3-amino-2,3-dihydro-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.56 Å2; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 87.58 cm3; (14)Molar Volume: 263.3 cm3; (15)Polarizability: 34.72×10-24 cm3; (16)Surface Tension: 48.6 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 214.6 °C; (19)Enthalpy of Vaporization: 68.69 kJ/mol; (20)Boiling Point: 431.3 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N3CCC2(CC(N)c1ccccc12)CC3
(2) InChI: InChI=1/C18H26N2O2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(19)13-6-4-5-7-14(13)18/h4-7,15H,8-12,19H2,1-3H3
(3) InChIKey: MRMIQWNSSBRSLQ-UHFFFAOYAE