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| CAS No.: | 16031-83-7 |
|---|---|
| Name: | 3-(2-AMINOETHYL)-5-HYDROXYINDOLE ADIPATE SALT |
| Molecular Structure: | |
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| Formula: | C16H22N2O5 |
| Molecular Weight: | 322.36 |
| Synonyms: | Serotonin adipate;Hexanedioic acid, compd. with 3-(2-aminoethyl)-1H-indol-5-ol (1:1) (9CI);INDOL-5-OL, 3-(2-AMINOETHYL)-, ADIPATE;Adipic acid, compd. with 3-(2-aminoethyl)indol-5-ol (1:1) (8CI);2-(5-hydroxy-1H-indol-3-yl)ethylazanium; 6-hydroxy-6-oxo-hexanoate;2-(5-hydroxy-1H-indol-3-yl)ethanaminium 5-carboxypentanoate;2-(5-hydroxy-1H-indol-3-yl)ethylazanium; 6-hydroxy-6-oxohexanoate; |
| Boiling Point: | 416.1 °C at 760 mmHg |
| Flash Point: | 205.4 °C |
| PSA: | 136.64000 |
| LogP: | 2.79100 |
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Specification
The Serotonin adipinate, with the CAS registry number 16031-83-7, has the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)ethylazanium; 6-hydroxy-6-oxohexanoate. Its classification code is Drug/Therapeutic Agent, and the molecular formula of this chemical is C16H22N2O5.
The physical properties of Serotonin adipinate are as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -2.22; (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: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 14.16 Å2; (13)Flash Point: 205.4 °C; (14)Enthalpy of Vaporization: 69.52 kJ/mol; (15)Boiling Point: 416.1 °C at 760 mmHg; (16)Vapour Pressure: 1.63E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)CCCCC(=O)O.Oc1cc2c(cc1)ncc2CC[NH3+]
(2)InChI: InChI=1/C10H12N2O.C6H10O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;7-5(8)3-1-2-4-6(9)10/h1-2,5-6,12-13H,3-4,11H2;1-4H2,(H,7,8)(H,9,10)
(3)InChIKey: QUDKLAIWRJDCMU-UHFFFAOYAQ