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22734-10-7

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Basic Information
CAS No.: 22734-10-7
Name: 1-nitrosoadamantane
Article Data: 9
Molecular Structure:
Molecular Structure of 22734-10-7 (1-nitrosoadamantane)
Formula: C10H15NO
Molecular Weight: 165.235
Synonyms: Adamantane, 1-nitroso- (8CI);
Density: 1.43 g/cm3
Boiling Point: 228.2 °C at 760 mmHg
Flash Point: 88.6 °C
PSA: 29.43000
LogP: 2.72160
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Specification

The Tricyclo[3.3.1.13,7]decane,1-nitroso-, with the CAS registry number of 22734-10-7, is also known as Adamantane, 1-nitroso- (8CI). Its molecular formula is C10H15NO and molecular weight is 165.232200. What's more, its IUPAC name is 1-Nitrosoadamantane. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Tricyclo[3.3.1.13,7]decane,1-nitroso- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.66; (6)ACD/BCF (pH 7.4): 149.66; (7)ACD/KOC (pH 5.5): 1254.71; (8)ACD/KOC (pH 7.4): 1254.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 115.2 cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.43 g/cm3; (18)Flash Point: 88.6 °C; (19)Enthalpy of Vaporization: 44.59 kJ/mol; (20)Boiling Point: 228.2 °C at 760 mmHg; (21)Vapour Pressure: 0.112 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=NC13CC2CC(CC(C1)C2)C3
(2) InChI: InChI=1/C10H15NO/c12-11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(3) InChIKey: NXYRRNWKCSMROR-UHFFFAOYAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978.