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22607-75-6

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Basic Information
CAS No.: 22607-75-6
Name: 4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE
Article Data: 1
Molecular Structure:
Molecular Structure of 22607-75-6 (4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE)
Formula: C10H15NO
Molecular Weight: 165.235
Synonyms: 4-Azatricyclo(4.3.1.13,8)undecan-5-one (8CI)(9CI);4-Azatricyclo[4.3.1.13,8]undecan-5-one;
Density: 1.103 g/cm3
Melting Point: 316-318 °C(lit.)
Boiling Point: 344 °C at 760 mmHg
Flash Point: 201.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 29.10000
LogP: 1.63990
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Chemistry

Systematic Name: 4-Azatricyclo[4.3.1.1~3,8~]undecan-5-one
Molecular Structure:
Molecular Formula: C10H15NO
Molecular Weight: 165.23
CAS NO: 22607-75-6
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 20.31 Å2
Index of Refraction: 1.522
Molar Refractivity: 45.7 cm3
Molar Volume: 149.7 cm3
Surface Tension: 36.2 dyne/cm
Density: 1.103 g/cm3
Flash Point: 201.3 °C
Enthalpy of Vaporization: 58.79 kJ/mol
Boiling Point: 344 °C at 760 mmHg
Vapour Pressure: 6.78E-05 mmHg at 25°C 
Melting Point: 316-318 °C(lit.)
Product Categories of 4-Azahomoadamantan-5-one (CAS NO.22607-75-6): Adamantane derivatives;Carbonyl Compounds;Lactams;Organic Building Blocks 
 4-Azahomoadamantan-5-one is also called 4-Azatricyclo(4.3.1.1(sup 3,8))undecan-5-one and 4-Azatricyclo(4.3.1.13,8)undecan-5-one (8CI)(9CI)
SMILES: O=C2NC1CC3CC(C1)CC2C3
InChI: InChI=1/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)
InChIKey: OKDJIRNQPPBDKJ-UHFFFAOYAM
Std. InChI: InChI=1S/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)
Std. InChIKey: OKDJIRNQPPBDKJ-UHFFFAOYSA-N

Safety Profile

Safety Information about 4-Azahomoadamantan-5-one (CAS NO.22607-75-6):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: CM0732000