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| CAS No.: | 720-82-1 |
|---|---|
| Name: | H-ALA-BETANA |
| Molecular Structure: | |
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| Formula: | C13H14N2O |
| Molecular Weight: | 214.267 |
| Synonyms: | (S)-2-Amino-N-(2-naphthyl)propionamide; |
| EINECS: | 211-956-5 |
| Density: | 1.209 g/cm3 |
| Melting Point: | 97.5 °C (petroleum ether) |
| Boiling Point: | 450.1 °C at 760 mmHg |
| Flash Point: | 226 °C |
| PSA: | 55.12000 |
| LogP: | 2.89880 |
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Specification
The Propanamide,2-amino-N-2-naphthalenyl-, (2S)-, with the CAS registry number 720-82-1, is also known as (S)-2-Amino-N-(2-naphthyl)propionamide. It belongs to the product categories of Amino Acids; Activity; Enzyme Substrates; Fluorogenic. Its EINECS number is 211-956-5. This chemical's molecular formula is C13H14N2O and molecular weight is 214.26. What's more, its systematic name is N-naphthalen-2-yl-L-alaninamide. Its storage temperature is 2-8°C.
Physical properties of Propanamide,2-amino-N-2-naphthalenyl-, (2S)- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.32; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 31.43; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 66.49 cm3; (14)Molar Volume: 177.1 cm3; (15)Polarizability: 26.36×10-24cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Density: 1.209 g/cm3; (18)Flash Point: 226 °C; (19)Enthalpy of Vaporization: 70.89 kJ/mol; (20)Boiling Point: 450.1 °C at 760 mmHg; (21)Vapour Pressure: 2.7E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccc1c(cccc1)c2)[C@@H](N)C
(2)Std. InChI: InChI=1S/C13H14N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,14H2,1H3,(H,15,16)/t9-/m0/s1
(3)Std. InChIKey: RQHPADKWNYTHOH-VIFPVBQESA-N