CAS No.2488-18-8,BOC-MET-ONP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2488-18-8
Name:	BOC-MET-ONP
Article Data:	3

Formula:	C₁₆H₂₂N₂O₆S
Molecular Weight:	370.426
Synonyms:	tert-Butyloxycarbonyl-L-methionine p-nitrophenyl ester;Methionine,N-carboxy-, N-tert-butyl p-nitrophenyl ester (7CI);Methionine, N-carboxy-, N-tert-butylp-nitrophenyl ester, L- (8CI);N-(tert-Butyloxycarbonyl)methioninep-nitrophenyl ester;N-tert-Butyloxycarbonyl-L-methionine p-nitrophenyl ester;tert-Butoxycarbonyl-L-methionine p-nitrophenyl ester;
Density:	1.244 g/cm³
Melting Point:	101-102 °C
Boiling Point:	536.1 °C at 760 mmHg
Flash Point:	278 °C
PSA:	135.75000
LogP:	4.06070

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Specification

The L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester is an organic compound with the formula C₁₆H₂₂N₂O₆S. The systematic name of this chemical is 4-nitrophenyl N-(tert-butoxycarbonyl)methioninate. With the CAS registry number 2488-18-8, it is also named as methionine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester. The product's category is Amino Acids.

Physical properties about L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 3.93; (3)ACD/LogD (pH 7.4): 3.93; (4)ACD/BCF (pH 5.5): 568.76; (5)ACD/BCF (pH 7.4): 568.44; (6)ACD/KOC (pH 5.5): 3262.72; (7)ACD/KOC (pH 7.4): 3260.86; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 126.96 Å²; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 94.49 cm³; (14)Molar Volume: 297.6 cm³; (15)Polarizability: 37.46×10^-24cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.244 g/cm³; (18)Flash Point: 278 °C; (19)Enthalpy of Vaporization: 81.28 kJ/mol; (20)Boiling Point: 536.1 °C at 760 mmHg; (21)Vapour Pressure: 1.44E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)C(NC(=O)OC(C)(C)C)CCSC
(2)InChI: InChI=1/C16H22N2O6S/c1-16(2,3)24-15(20)17-13(9-10-25-4)14(19)23-12-7-5-11(6-8-12)18(21)22/h5-8,13H,9-10H2,1-4H3,(H,17,20)
(3)InChIKey: KSFQSYDCSRCMIR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H22N2O6S/c1-16(2,3)24-15(20)17-13(9-10-25-4)14(19)23-12-7-5-11(6-8-12)18(21)22/h5-8,13H,9-10H2,1-4H3,(H,17,20)(5)Std. InChIKey: KSFQSYDCSRCMIR-UHFFFAOYSA-N