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Name
L-3-Pyridylalanine
- EINECS
- CAS No. 64090-98-8
- Article Data6
- CAS DataBase
- Density 1.271 g/cm3
- Solubility
- Melting Point 248-252℃
- Formula C8H10N2O2
- Boiling Point 344.4 °C at 760 mmHg
- Molecular Weight 166.18
- Flash Point 162.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 3-Pyridinepropanoicacid, a-amino-, (S)-;(2S)-2-Amino-3-(pyridin-3-yl)propanoic acid;b-3-Pyridyl-L-alanine;3-(3-Pyridyl)-Alanine·HCl;H-Ala(3-pyridyl)-OH·HCl;
- PSA 76.21000
- LogP 0.73630
L-3-Pyridylalanine Specification
The CAS register number of L-3-Pyridylalanine is 64090-98-8. It also can be called as (S)-2-Amino-3-(3-pyridyl)propionic acid and the IUPAC name about this chemical is (2S)-2-amino-3-pyridin-3-ylpropanoic acid. 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 L-3-Pyridylalanine 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.
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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