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CAS No.: | 403519-98-2 |
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Name: | 4-Pentynoicacid,2-amino-2-methyl-,(2R)-(9CI) |
Molecular Structure: | |
Formula: | C6H9NO2 |
Molecular Weight: | 127.143 |
Synonyms: | 4-Pentynoicacid,2-amino-2-methyl-,(2R)-(9CI);(R)-alpha-Propargylalanine, (R)-2-Amino-2-methyl-4-pentynoic acid (>98%, >98%ee);H-alpha-Prg-L-Ala-OH;a-Methyl-L-Propargylglycine;α-Me-D-Gly(Propargyl)-OH |
Density: | 1.159 g/cm3 |
Boiling Point: | 250.858 °C at 760 mmHg |
Flash Point: | 105.515 °C |
PSA: | 63.32000 |
LogP: | 0.51200 |
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The 4-Pentynoic acid,2-amino-2-methyl-, (2R)-, with the CAS registry number 403519-98-2, has the systematic name (2R)-2-amino-2-methyl-pent-4-ynoic acid. Its molecular formula is C6H9NO2 and its molecular weight is 127.1412. However, this chemical is which should be kept cool and dry.
Other characteristics of the 4-Pentynoic acid,2-amino-2-methyl-, (2R)- can be summarised as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 32.739 cm3; (13)Molar Volume: 109.692 cm3; (14)Polarizability: 12.979×10-24cm3; (15)Surface Tension: 52.865 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 105.515 °C; (18)Enthalpy of Vaporization: 53.751 kJ/mol; (19)Boiling Point: 250.858 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: C[C@@](CC#C)(C(=O)O)N
2.InChI: InChI=1/C6H9NO2/c1-3-4-6(2,7)5(8)9/h1H,4,7H2,2H3,(H,8,9)/t6-/m1/s1
3.InChIKey: FSBNDYYRTZBHAN-ZCFIWIBFBW