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Name |
3-(3-Pyridyl)-D-alanine |
EINECS | N/A |
CAS No. | 70702-47-5 | Density | 1.271 g/cm3 |
PSA | 76.21000 | LogP | 0.73630 |
Solubility | N/A | Melting Point |
167-168 °C |
Formula | C8H10N2O2 | Boiling Point | 344.4 °C at 760 mmHg |
Molecular Weight | 166.18 | Flash Point | 162.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Pyridinepropanoicacid, a-amino-, (R)-;b-(3-Pyridyl)-D-alanine; |
Article Data | 10 |
The CAS register number of 3-(3-Pyridyl)-D-alanine is 70702-47-5. It also can be called as 3-Pyridinepropanoicacid, a-amino-, (aR)- and the systematic name about this chemical is 3-pyridin-3-yl-D-alanine. The molecular formula about this chemical is C8H10N2O2 and the molecular weight is 166.18. It belongs to the following product categories, such as Glycinescaffold; Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Alanine [Ala, A]; Unusual Amino Acids; Amino hydrochloride; A-Amino and so on.
Physical properties about 3-(3-Pyridyl)-D-alanine are: (1)ACD/LogP: -0.38; (2)ACD/LogD (pH 5.5): -2.99; (3)ACD/LogD (pH 7.4): -2.91; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 42.43Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 43.58 cm3; (14)Molar Volume: 130.6 cm3; (15)Polarizability: 17.27x10-24cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Enthalpy of Vaporization: 62.1 kJ/mol; (18)Boiling Point: 344.4 °C at 760 mmHg; (19)Vapour Pressure: 2.51E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)Cc1cccnc1
(2)InChI: InChI=1/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1
(3)InChIKey: DFZVZEMNPGABKO-SSDOTTSWBR
(4)Std. InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1
(5)Std. InChIKey: DFZVZEMNPGABKO-SSDOTTSWSA-N