CAS No.36261-61-7,H-MET-ASN-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36261-61-7
Name:	H-MET-ASN-OH

Formula:	C₉H₁₇N₃O₄S
Molecular Weight:	263.318
Synonyms:	L-Asparagine,N2-L-methionyl-;L-Methionyl-L-asparagine;NSC 334376;Met-asn crystalline;
Density:	1.337 g/cm³
Boiling Point:	642.3 °C at 760 mmHg
Flash Point:	342.2 °C
PSA:	160.81000
LogP:	0.30310

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Specification

The CAS register number of L-Asparagine,L-methionyl- is 36261-61-7. It also can be called as L-Methionyl-L-asparagine and the IUPAC name about this chemical is 4-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoic acid. The molecular formula about this chemical is C₉H₁₇N₃O₄S and the molecular weight is 263.31. It belongs to the following product category which includes Amino Acid Derivatives and so on.

Physical properties about L-Asparagine,L-methionyl- are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 1; (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: 7; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 95.46 Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 63.94 cm³; (13)Molar Volume: 196.8 cm³; (14)Polarizability: 25.35x10^-24cm³; (15)Surface Tension: 62.5 dyne/cm; (16)Density: 1.337 g/cm³; (17)Flash Point: 342.2 °C; (18)Enthalpy of Vaporization: 103.41 kJ/mol; (19)Boiling Point: 642.3 °C at 760 mmHg; (20)Vapour Pressure: 3.79E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)CC(=O)N)C(N)CCSC
(2)InChI: InChI=1/C9H17N3O4S/c1-17-3-2-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
(3)InChIKey: JMEWFDUAFKVAAT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H17N3O4S/c1-17-3-2-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
(5)Std. InChIKey: JMEWFDUAFKVAAT-UHFFFAOYSA-N