Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Amino-3-(pyridin-3-yl)propanoic acid |
EINECS | N/A |
CAS No. | 62247-21-6 | Density | 1.268 g/cm3 |
PSA | 76.21000 | LogP | 1.25640 |
Solubility | Slightly soluble in water | Melting Point |
205.0 to 209.0 °C |
Formula | C8H10N2O2 | Boiling Point | 352.6 °C at 760 mmHg |
Molecular Weight | 166.18 | Flash Point | 167 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(RS)-3-Amino-3-(3-pyridyl)propanoicacid;(?à)-b-Amino-3-pyridylpropionic acid;3-(3-Pyridyl)-3-aminopropionic acid;3-Amino-3-(3-pyridyl)propionic acid; |
Article Data | 1 |
The 3-Amino-3-(pyridin-3-yl)propanoic acid with the cas number 62247-21-6 is also called 3-Pyridinepropanoicacid, b-amino-. Both the systematic name and IUPAC name are 3-amino-3-pyridin-3-ylpropanoic acid. Its molecular formula is C8H10N2O2. This chemical belongs to the following product categories: (1)pharmacetical; (2)API intermediates. It should be stored at -15°C.
The properties of the chemical are: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.08; (4)ACD/LogD (pH 7.4): -3.11; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 43.62 cm3; (15)Molar Volume: 131 cm3; (16)Polarizability: 17.29×10-24cm3; (17)Surface Tension: 61.7 dyne/cm; (18)Enthalpy of Vaporization: 63.04 kJ/mol; (19)Vapour Pressure: 1.4×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1cccnc1
(2)InChI: InChI=1/C8H10N2O2/c9-7(4-8(11)12)6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)
(3)InChIKey: QOTCEJINJFHMLO-UHFFFAOYAS