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4701-98-8

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Basic Information
CAS No.: 4701-98-8
Name: 4-(TERT-BUTYL)CYCLOHEXANONE OXIME
Article Data: 15
Molecular Structure:
Molecular Structure of 4701-98-8 (4-(TERT-BUTYL)CYCLOHEXANONE OXIME)
Formula: C10H19NO
Molecular Weight: 169.267
Synonyms: Cyclohexanone,4-tert-butyl-, oxime (6CI,7CI,8CI);4-(1,1-Dimethylethyl)cyclohexanone oxime;4-tert-Butylcyclohexanone oxime;NSC 11346;
Density: 0.99 g/cm3
Melting Point: 137-139 °C
Boiling Point: 257.2 °C at 760 mmHg
Flash Point: 147.4 °C
PSA: 32.59000
LogP: 3.05290
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Specification

The Cyclohexanone, 4-(1, 1-dimethylethyl)-, oxime, with the CAS registry number of 4701-98-8, is also known as 4-tert-Butylcyclohexanone oxime. This chemical's molecular formula is C10H19NO and molecular weight is 169.26. What's more, its IUPAC name is N-(4-tert-Butylcyclohexylidene)hydroxylamine.

Physical properties about Cyclohexanone, 4-(1, 1-dimethylethyl)-, oxime are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 21.59 Å2; (7)Index of Refraction: 1.5; (8)Molar Refractivity: 49.96 cm3; (9)Molar Volume: 169.6 cm3; (10)Surface Tension: 31.9 dyne/cm; (11)Density: 0.99 g/cm3; (12)Flash Point: 147.4 °C; (13)Enthalpy of Vaporization: 54.47 kJ/mol; (14)Boiling Point: 257.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00448 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(/O)=C1\CCC(C(C)(C)C)CC1
(2) InChI: InChI=1/C10H19NO/c1-10(2,3)8-4-6-9(11-12)7-5-8/h8,12H,4-7H2,1-3H3/b11-9-
(3) InChIKey: XIOIFAFSEIOPFO-LUAWRHEFBP