CAS No.16891-99-9,1-NITRODODECANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16891-99-9
Name:	1-NITRODODECANE
Article Data:	13

Formula:	C₁₂H₂₅NO₂
Molecular Weight:	215.336
Synonyms:	1-Nitrododecane;NSC 76735;
EINECS:	240-929-0
Density:	0.899 g/cm³
Boiling Point:	285 °C at 760 mmHg
Flash Point:	107 °C
PSA:	45.82000
LogP:	4.70720

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Specification

The Dodecane, 1-nitro- has the CAS registry number 16891-99-9. Its EINECS number is 240-929-0. This chemical's molecular formula is C₁₂H₂₅NO₂ and molecular weight is 215.33. What's more, its systematic name is 1-nitrododecane.

Physical properties of Dodecane, 1-nitro- are: (1)ACD/LogP: 5.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.65; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 11570.77; (6)ACD/BCF (pH 7.4): 10969.96; (7)ACD/KOC (pH 5.5): 28187.56; (8)ACD/KOC (pH 7.4): 26723.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 63.66 cm³; (15)Molar Volume: 239.3 cm³; (16)Polarizability: 25.23×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.899 g/cm³; (19)Flash Point: 107 °C; (20)Enthalpy of Vaporization: 50.3 kJ/mol; (21)Boiling Point: 285 °C at 760 mmHg; (22)Vapour Pressure: 0.00495 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CCCCCCCCCCCC
(2)InChI: InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
(3)InChIKey: MQEMKUTWMALMCC-UHFFFAOYSA-N