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3-(3-Pyridyl)-D-alanine

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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 Molecular Structure of 70702-47-5 (3-(3-Pyridyl)-D-alanine) Hazard Symbols IrritantXi
Synonyms

3-Pyridinepropanoicacid, a-amino-, (R)-;b-(3-Pyridyl)-D-alanine;

Article Data 10

3-(3-Pyridyl)-D-alanine Specification

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

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