Product Name

  • Name

    BOC-MET-ONP

  • EINECS
  • CAS No. 2488-18-8
  • Article Data3
  • CAS DataBase
  • Density 1.244 g/cm3
  • Solubility
  • Melting Point 101-102 °C
  • Formula C16H22N2O6S
  • Boiling Point 536.1 °C at 760 mmHg
  • Molecular Weight 370.426
  • Flash Point 278 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 2488-18-8 (BOC-MET-ONP)
  • Hazard Symbols
  • 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;
  • PSA 135.75000
  • LogP 4.06070

L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester 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

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