- Min.Order :1 Kilogram
- Purity: 95%
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Keywords
2094-74-8 1-Adamantylcarboxaldehyde 1-Formyladamantane
Quick Details
- Appearance:Yellowish powder
- Application:2094-74-8
- PackAge:1kg,5kg,10kg,25kg
- ProductionCapacity:1|Metric Ton|Month
- Storage:R.T
- Transportation:2094-74-8
Superiority:
The systematic name of 1-Adamantylcarboxaldehyde is tricyclo[3.3.1.113,7]decane-1-carbaldehyde. With the CAS registry number 2094-74-8, it is also named as 1-Formyladamantane. In addition, its molecular formula is C11H16O and molecular weight is 164.24.
The other characteristics of 1-Adamantylcarboxaldehyde can be summarized as: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 70; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 725; (8)ACD/KOC (pH 7.4): 725; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 48.732 cm3; (15)Molar Volume: 140.783 cm3; (16)Polarizability: 19.319×10-24cm3; (17)Surface Tension: 50.774 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 82.129 °C; (20)Enthalpy of Vaporization: 47.613 kJ/mol; (21)Boiling Point: 239.244 °C at 760 mmHg; (22)Vapour Pressure: 0.041 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=CC13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
(3)InChIKey: DZULQZKFBAHSRX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
(5)Std. InChIKey: DZULQZKFBAHSRX-UHFFFAOYSA-N
Details:
| Name | 1-Adamantylcarboxaldehyde | |
| Synonyms | Tricyclo[3.3.1.1(3,7)]decane-1-carboxaldehyde; 1-Formyladamantane | |
| Molecular Structure |
|
|
| Molecular Formula | C11H16O | |
| Molecular Weight | 164.24 | |
| CAS Registry Number | 2094-74-8 | |
| Properties | ||
| Density | 1.166 | |
| Boiling point | 239 ºC | |
| Flash point | 82 ºC | |
The systematic name of 1-Adamantylcarboxaldehyde is tricyclo[3.3.1.113,7]decane-1-carbaldehyde. With the CAS registry number 2094-74-8, it is also named as 1-Formyladamantane. In addition, its molecular formula is C11H16O and molecular weight is 164.24.
The other characteristics of 1-Adamantylcarboxaldehyde can be summarized as: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 70; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 725; (8)ACD/KOC (pH 7.4): 725; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 48.732 cm3; (15)Molar Volume: 140.783 cm3; (16)Polarizability: 19.319×10-24cm3; (17)Surface Tension: 50.774 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 82.129 °C; (20)Enthalpy of Vaporization: 47.613 kJ/mol; (21)Boiling Point: 239.244 °C at 760 mmHg; (22)Vapour Pressure: 0.041 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=CC13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
(3)InChIKey: DZULQZKFBAHSRX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
(5)Std. InChIKey: DZULQZKFBAHSRX-UHFFFAOYSA-N
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