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CAS No.: | 1202-71-7 |
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Name: | 1-Azacyclododecan-2-one |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C11H21NO |
Molecular Weight: | 183.294 |
Synonyms: | Undecylolactam;Undecanoic acid, 11-amino-, l-lactam;Undecanolactam;2-Azacyclododecan-1-one;1-Aza-2-cyclododecanone; |
Density: | 0.892 g/cm3 |
Boiling Point: | 302.517 °C at 760 mmHg |
Flash Point: | 178.798 °C |
PSA: | 32.59000 |
LogP: | 2.90300 |
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This product is an organic compound with the formula C11H21NO. The systematic name of this chemical is Azacyclododecan-2-one. With the CAS registry number 1202-71-7, it is also named as Undecanolactam. In addition, the molecular weight is 183.29.
Physical properties of 2-Octanone,3-(hydroxymethyl)- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 544; (8)ACD/KOC (pH 7.4): 544; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 54.208 cm3; (15)Molar Volume: 205.414 cm3; (16)Polarizability: 21.49×10-24cm3; (17)Surface Tension: 28.47 dyne/cm; (18)Density: 0.892 g/cm3; (19)Flash Point: 178.798 °C; (20)Enthalpy of Vaporization: 54.274 kJ/mol; (21)Boiling Point: 302.517 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCCCCCCCN1
(2)Std. InChI: InChI=1S/C11H21NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-11/h1-10H2,(H,12,13)
(3)Std. InChIKey: QFNNDGVVMCZKEY-UHFFFAOYSA-N