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CAS No.: | 23361-37-7 |
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Name: | AC-MET-NH2 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H14N2O2S |
Molecular Weight: | 190.26 |
Synonyms: | N~2~-Acetyl-L-methioninamide; |
Density: | 1.151 g/cm3 |
Boiling Point: | 477.4 °C at 760 mmHg |
Flash Point: | 242.5 °C |
PSA: | 97.49000 |
LogP: | 0.82070 |
The Butanamide,2-(acetylamino)-4-(methylthio)-, (2S)-, with the CAS registry number of 23361-37-7, is also known as N~2~-Acetyl-L-methioninamide. This chemical's molecular formula is C7H14N2O2S and molecular weight is 190.26. What's more, its systematic name is N-Acetyl-L-methionine amide.
Physical properties about the Butanamide,2-(acetylamino)-4-(methylthio)-, (2S)- are: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.24; (8)ACD/KOC (pH 7.4): 11.24; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.92 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 49.62 cm3; (15)Molar Volume: 165.1 cm3; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.151 g/cm3; (18)Flash Point: 242.5 °C; (19)Enthalpy of Vaporization: 74.13 kJ/mol; (20)Boiling Point: 477.4 °C at 760 mmHg; (21)Vapour Pressure: 2.82E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)N)CCSC)C
(2) InChI: InChI=1/C7H14N2O2S/c1-5(10)9-6(7(8)11)3-4-12-2/h6H,3-4H2,1-2H3,(H2,8,11)(H,9,10)/t6-/m0/s1
(3) InChIKey: AJQATZBTQNYZFO-LURJTMIEBA