4-Aminoadamantane-1-carboxylic acid supplier

Name
5-Carboxy-2-Aminoadamantane
EINECS
CAS No. 1057343-95-9
Article Data15
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇NO₂
Boiling Point 343.8 °C at 760 mmHg
Molecular Weight 195.26
Flash Point 161.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Aminotricyclo[3.3.1.13,7]decane-1-carboxylic acid;
PSA 63.32000
LogP 1.92490

4-Aminoadamantane-1-carboxylic acid Specification

The 4-Aminoadamantane-1-carboxylic acid, with the CAS registry number 1057343-95-9, is also known as 4-aminotricyclo[3.3.1.13,7]decane-1-carboxylic acid. Its molecular formula is C₁₁H₁₇NO₂ and its molecular weight is 195.26.

Other characteristics of the 4-Aminoadamantane-1-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 51.78 cm³; (13)Molar Volume: 154 cm³; (14)Polarizability: 20.52×10^-24cm³; (15)Surface Tension: 56.4 dyne/cm; (16)Density: 1.267 g/cm³; (17)Flash Point: 161.7 °C; (18)Enthalpy of Vaporization: 64.58 kJ/mol; (19)Boiling Point: 343.8 °C at 760 mmHg; (20)Vapour Pressure: 1.23E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)C13CC2CC(CC(C1)C2N)C3
2.InChI: InChI=1/C11H17NO2/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-9H,1-5,12H2,(H,13,14)
3.InChIKey: SOJVRVUWBAQBHZ-UHFFFAOYAZ

Product Name

5-Carboxy-2-Aminoadamantane

4-Aminoadamantane-1-carboxylic acid Specification

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