China (Mainland)
Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3,5-dimethyl- CAS NO.14670-94-1
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- Min.Order: 1 Kilogram
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- Available Specifications:
98%(1-25)Kilogram
- Product Details
Keywords
- 14670-94-1
- 3,5-dimethyladamantane-1-carboxylic acid
- adamantane
Quick Details
- ProName: Tricyclo[3.3.1.13,7]decane-1-carboxyli...
- CasNo: 14670-94-1
- Molecular Formula: C13H20O2
- Appearance: offwhite solid
- Application: 14670-94-1
- DeliveryTime: 30 days
- PackAge: 25kg
- Port: shanghai
- ProductionCapacity: 2 Metric Ton/Month
- Purity: 98%
- Storage: AMB
- Transportation: 14670-94-1
- LimitNum: 1 Kilogram
- Grade: Industrial Grade,Pharma Grade
Superiority
The Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3,5-dimethyl-, with the CAS registry number 14670-94-1, is also known as 3,5-Dimethyltricyclo[3.3.1.13,7]decane-1-carboxylic acid. It belongs to the product categories of Adamantane derivatives; Chiral. This chemical's molecular formula is C13H20O2 and molecular weight is 208.3. What's more, its IUPAC name is 3,5-dimethyladamantane-1-carboxylic acid. When using it, you should avoid contact with skin and eyes. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides.
Physical properties of Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3,5-dimethyl- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 57.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 398.99; (8)ACD/KOC (pH 7.4): 6.58; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 57.44 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 22.77×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 153.9 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 324.1 °C at 760 mmHg; (22)Vapour Pressure: 5.1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C
(2)InChI: InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
(3)InChIKey: BSWOQWGHXZTDOO-UHFFFAOYSA-N
Details
The Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3,5-dimethyl-, with the CAS registry number 14670-94-1, is also known as 3,5-Dimethyltricyclo[3.3.1.13,7]decane-1-carboxylic acid. It belongs to the product categories of Adamantane derivatives; Chiral. This chemical's molecular formula is C13H20O2 and molecular weight is 208.3. What's more, its IUPAC name is 3,5-dimethyladamantane-1-carboxylic acid. When using it, you should avoid contact with skin and eyes. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides.
Physical properties of Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3,5-dimethyl- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 57.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 398.99; (8)ACD/KOC (pH 7.4): 6.58; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 57.44 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 22.77×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 153.9 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 324.1 °C at 760 mmHg; (22)Vapour Pressure: 5.1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C
(2)InChI: InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
(3)InChIKey: BSWOQWGHXZTDOO-UHFFFAOYSA-N