CAS No.3423-28-7,8-isopropyl-8-azabicyclo[3.2.1]octan-3-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3423-28-7
Name:	8-isopropyl-8-azabicyclo[3.2.1]octan-3-one
Article Data:	4

Formula:	C₁₀H₁₇NO
Molecular Weight:	167.251
Synonyms:	3-Nortropanone,8-isopropyl- (7CI,8CI);8-Isopropylnortropinone;8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-one;8-azabicyclo[3.2.1]octan-3-one, 8-(1-methylethyl)-;8-Isopropyl-8-azabicyclo(3.2.1)octan-3-one;8-Isopropyl-8-azabicyclo[3.2.1]octan-3-one;
EINECS:	222-315-4
Density:	1.028 g/cm³
Boiling Point:	254.7 °C at 760 mmHg
Flash Point:	100.5 °C
PSA:	20.31000
LogP:	1.52860

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Specification

The 8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)-, with the CAS registry number 3423-28-7 and EINECS registry number 222-315-4, has the systematic name of 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-one. And the molecular formula of this chemical is C₁₀H₁₇NO.

The physical properties of 8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)- are as following: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 47.89 cm³; (15)Molar Volume: 162.6 cm³; (16)Polarizability: 18.98×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 100.5 °C; (20)Enthalpy of Vaporization: 49.22 kJ/mol; (21)Boiling Point: 254.7 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC2N(C(C)C)C(C1)CC2
(2)InChI: InChI=1/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3
(3)InChIKey: AKETXTOLBLTPTP-UHFFFAOYAF