CAS No.13323-45-0,3-METHYL-3,9-DIAZASPIRO[5.5]UNDECANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13323-45-0
Name:	3-METHYL-3,9-DIAZASPIRO[5.5]UNDECANE

Formula:	C₁₀H₂₀N₂
Molecular Weight:	168.282
Synonyms:	3-Methyl-3,9-diazaspiro[5.5]undecane;
Density:	0.983g/cm³
Melting Point:	128-130 °C
Boiling Point:	259.538 °C at 760 mmHg
Flash Point:	106.405 °C
PSA:	15.27000
LogP:	1.34850

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Specification

The 3,9-Diazaspiro[5.5]undecane,3-methyl-, with CAS registry number 13323-45-0, has the systematic name of 3-methyl-3,9-diazaspiro[5.5]undecane. Besides this, it is also called 3,9-Diazaspiro[5.5]undecane, 3-methyl-. And the chemical formula of this chemical is C₁₀H₂₀N₂.

Physical properties of 3,9-Diazaspiro[5.5]undecane,3-methyl-: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 15.27 Å²; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 51.801 cm³; (13)Molar Volume: 171.208 cm³; (14)Polarizability: 20.536×10^-24cm³; (15)Surface Tension: 37.038 dyne/cm; (16)Density: 0.983 g/cm³; (17)Flash Point: 106.405 °C; (18)Enthalpy of Vaporization: 49.719 kJ/mol; (19)Boiling Point: 259.538 °C at 760 mmHg; (20)Vapour Pressure: 0.013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN2CCC1(CCNCC1)CC2
(2)InChI: InChI=1/C10H20N2/c1-12-8-4-10(5-9-12)2-6-11-7-3-10/h11H,2-9H2,1H3
(3)InChIKey: OFXQSNLQXDCJCP-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H20N2/c1-12-8-4-10(5-9-12)2-6-11-7-3-10/h11H,2-9H2,1H3
(5)Std. InChIKey: OFXQSNLQXDCJCP-UHFFFAOYSA-N