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2-Adamantanone oxime

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Name

2-Adamantanone oxime

EINECS 224-807-4
CAS No. 4500-12-3 Density 1.5 g/cm3
PSA 32.59000 LogP 2.27270
Solubility N/A Melting Point 164-167 °C
Formula C10H15NO Boiling Point 294 °C at 760 mmHg
Molecular Weight 165.235 Flash Point 175.6 °C
Transport Information N/A Appearance white solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 4500-12-3 (2-Adamantanone oxime) Hazard Symbols N/A
Synonyms

2-Adamantanone,oxime (6CI,7CI,8CI);Tricyclo[3.3.1.13,7]decanone, oxime (9CI);2-Hydroxyiminoadamantane;Adamantanone oxime;NSC 127840;2-Adamantanone oxime;

Article Data 25

2-Adamantanone oxime Specification

The IUPAC name of 2-Adamantanone oxime is N-(2-adamantylidene)hydroxylamine. With the CAS registry number 4500-12-3, it is also named as 2-Hydroxyiminoadamantane. The product's categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Adamantanes; Nitrogen Compounds; Organic Building Blocks; Oximes. Besides, it is white solid, which should be sealed in dark, ventilated and dry place at room temperature. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C10H15NO and molecular weight is 165.23.

The other characteristics of 2-Adamantanone oxime can be summarized as: (1)EINECS: 224-807-4; (2)ACD/LogP: 1.96; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.96; (5)ACD/LogD (pH 7.4): 1.96; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 32.59 Å2; (10)Index of Refraction: 1.752; (11)Molar Refractivity: 44.88 cm3; (12)Molar Volume: 109.8 cm3; (13)Polarizability: 17.79×10-24cm3; (14)Surface Tension: 56.6 dyne/cm; (15)Density: 1.5 g/cm3; (16)Flash Point: 175.6 °C; (17)Melting Point: 164-167 °C; (18)Enthalpy of Vaporization: 58.7 kJ/mol; (19)Boiling Point: 294 °C at 760 mmHg; (20)Vapour Pressure: 0.000409 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1C2CC3CC1CC(C2)C3=NO
(2)InChI: InChI=1S/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9,12H,1-5H2
(3)InChIKey: RABVIFXMFZFITE-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 10, Pg. 454, 1976.
mouse LD50 unreported 900mg/kg (900mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978.

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