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| CAS No.: | 19641-59-9 |
|---|---|
| Name: | Dl-Alpha-Aminosuberic Acid |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H15NO4 |
| Molecular Weight: | 189.21 |
| Synonyms: | DL-2-AMINOOCTANEDIOIC ACID;DL-2-AMINOSUBERIC ACID;H-DL-ASU-OH;(RS)-2-AMINOOCTANEDIOIC ACID;Aminosubericacid;DL-α-Aminosuberic acid;DL-2-aminosubericacid95+%;DL-2-Aminoctanedioic acid |
| Density: | 1.229g/cm3 |
| Melting Point: | 240 °C |
| Boiling Point: | 385.5 °C at 760 mmHg |
| Flash Point: | 187 °C |
| PSA: | 100.62000 |
| LogP: | 1.13370 |
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Specification
The Dl-Alpha-Aminosuberic Acid, with CAS registry number 19641-59-9, has the systematic name of 2-aminooctanedioic acid. Besides this, it is also called octanedioic acid, 2-amino-. And the chemical formula of this chemical is C8H15NO4.
Physical properties of Dl-Alpha-Aminosuberic Acid: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.24; (4)ACD/LogD (pH 7.4): -3.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 45.73 cm3; (15)Molar Volume: 153.8 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Enthalpy of Vaporization: 69.64 kJ/mol; (19)Vapour Pressure: 5.16E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCC(N)C(=O)O
(2)InChI: InChI=1/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)
(3)InChIKey: YOFPFYYTUIARDI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)
(5)Std. InChIKey: YOFPFYYTUIARDI-UHFFFAOYSA-N