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| CAS No.: | 1137-00-4 |
|---|---|
| Name: | 7-AZATRYPTOPHAN MONOHYDRATE |
| Molecular Structure: | |
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| Formula: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine |
| Molecular Weight: | 205.216 |
| Synonyms: | 7-Azatryptophan;Azatryptophan;alpha-Amino-1H-pyrrolo(2,3-b)pyridine-3-propionic acid;2-amino-3-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)propanoic acid;1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino- (9CI); |
| Density: | 1.434 g/cm3 |
| Melting Point: | 259 °C |
| Boiling Point: | 466.1 °C at 760 mmHg |
| Flash Point: | 235.7 °C |
| Appearance: | off-white solid |
| PSA: | 92.00000 |
| LogP: | 1.21760 |
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Specification
This chemical is called 1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino-, and its systematic name is 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine. With the molecular formula of 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine, its molecular weight is 205.21. The CAS registry number of this chemical is 1137-00-4. Additionally, its product category is Indole Derivatives. It should be stored at -20°C.
Other characteristics of the 1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino- can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -1.79; (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: 4; (12)Polar Surface Area: 47.36 Å2; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 55.86 cm3; (15)Molar Volume: 143 cm3; (16)Polarizability: 22.14×10-24cm3; (17)Surface Tension: 81.1 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 235.7 °C; (20)Enthalpy of Vaporization: 76.69 kJ/mol; (21)Boiling Point: 466.1 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)Cc2c1cccnc1nc2
2.InChI: InChI=1/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)
3.InChIKey: SNLOIIPRZGMRAB-UHFFFAOYAU