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CAS No.: | 7303-50-6 |
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Name: | 7-AZATRYPTOPHAN |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H11N3O2 |
Molecular Weight: | 205.216 |
Synonyms: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine;1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, a-amino-, DL- (8CI);1H-Pyrrolo[2,3-b]pyridine-3-alanine;7-Aza-DL-tryptophan;Aza-T;DL-7-Azatryptophan;NSC 19495;1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, α-amino-, dl-;1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-amino-, (.+ -.)-; |
Density: | 1.434 g/cm3 |
Melting Point: | 275°C dec. |
Boiling Point: | 466.1 °C at 760 mmHg |
Flash Point: | 235.7 °C |
Appearance: | White Powder |
PSA: | 105.13000 |
LogP: | 2.05270 |
The 1H-Pyrrolo[2,3-b]pyridine-3-propanoicacid, α-amino-, with the CAS registry number 10199-50-5, is also known as 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Peptide; Amino Acids & Derivatives; Fluorescent Labels & Indicators; A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C10H11N3O2 and molecular weight is 205.21. What's more, its systematic name is 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine. It should be sealed and stored in a dry place at the temperature of -20 °C.
Physical properties of 1H-Pyrrolo[2,3-b]pyridine-3-propanoicacid, α-amino-are: (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: 22.14×10-24 cm3; (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)Canonical 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