2-Aminoadamantane-2-carboxylic acid supplier

Name
2-aminoadamantane-2-carboxylic acid
EINECS
CAS No. 42381-05-5
Article Data2
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇NO₂
Boiling Point 346.2 °C at 760 mmHg
Molecular Weight 195.261
Flash Point 163.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Aminoadamantane-2-carboxylicacid;Adamantanine;NSC 145160;
PSA 63.32000
LogP 1.92490

2-Aminoadamantane-2-carboxylic acid Specification

The 2-Aminoadamantane-2-carboxylic acid is an organic compound with the formula C₁₁H₁₇NO₂. The systematic name of this chemical is 2-aminotricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid. With the CAS registry number 42381-05-5, it is also named as Adamantanine.

Physical properties about 2-Aminoadamantane-2-carboxylic acid are: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): -1.15; (3)ACD/LogD (pH 7.4): -1.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 51.78 cm³; (14)Molar Volume: 157.6 cm³; (15)Polarizability: 20.53×10^-24cm³; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.238 g/cm³; (18)Flash Point: 163.2 °C; (19)Enthalpy of Vaporization: 64.87 kJ/mol; (20)Boiling Point: 346.2 °C at 760 mmHg; (21)Vapour Pressure: 1.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C3(N)C1CC2CC3CC(C1)C2
(2)InChI: InChI=1/C11H17NO2/c12-11(10(13)14)8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5,12H2,(H,13,14)
(3)InChIKey: WQMQRNCPZFUGID-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H17NO2/c12-11(10(13)14)8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5,12H2,(H,13,14)
(5)Std. InChIKey: WQMQRNCPZFUGID-UHFFFAOYSA-N

Product Name

2-aminoadamantane-2-carboxylic acid

2-Aminoadamantane-2-carboxylic acid Specification

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