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Boc-L-alanine 4-nitrophenyl ester

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Boc-L-alanine 4-nitrophenyl ester

EINECS 219-621-5
CAS No. 2483-49-0 Density 1.237 g/cm3
PSA 110.45000 LogP 3.32750
Solubility N/A Melting Point 78 °C(Solv: methanol (67-56-1))
Formula C14H18N2O6 Boiling Point 460.9 °C at 760 mmHg
Molecular Weight 310.307 Flash Point 232.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2483-49-0 (BOC-ALA-ONP) Hazard Symbols N/A

Alanine,N-carboxy-, N-tert-butyl p-nitrophenyl ester (7CI);Alanine, N-carboxy-,N-tert-butyl p-nitrophenyl ester, L- (8CI);BOC-L-Alanine p-nitrophenyl ester;N-(tert-Butyloxycarbonyl)-L-alanine p-nitrophenyl ester;N-tert-Butoxycarbonyl-L-alanine p-nitrophenyl ester;p-NitrophenylN-tert-butoxycarbonyl-L-alaninate;p-Nitrophenyl N-tert-butyloxycarbonyl-L-alaninate;p-Nitrophenyl tert-butoxycarbonyl-L-alaninate;tert-Butyloxycarbonyl-L-alaninep-nitrophenyl ester;Boc-Ala-ONP;

Article Data 16

Boc-L-alanine 4-nitrophenyl ester Specification

The L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester, with the CAS registry number 2483-49-0, is also known as N-tert-Butyloxycarbonylalanine-4-nitrophenyl ester. Its EINECS registry number is 219-621-5. This chemical's molecular formula is C14H18N2O6 and molecular weight is 310.3. Its systematic name is called 4-nitrophenyl N-(tert-butoxycarbonyl)-L-alaninate.

Physical properties of L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.88; (3)ACD/LogD (pH 7.4): 2.88; (4)ACD/BCF (pH 5.5): 90.33; (5)ACD/BCF (pH 7.4): 90.3; (6)ACD/KOC (pH 5.5): 874.19; (7)ACD/KOC (pH 7.4): 873.9; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 77.23 cm3; (13)Molar Volume: 250.6 cm3; (14)Surface Tension: 44.7 dyne/cm; (15)Density: 1.237 g/cm3; (16)Flash Point: 232.6 °C; (17)Enthalpy of Vaporization: 72.17 kJ/mol; (18)Boiling Point: 460.9 °C at 760 mmHg; (19)Vapour Pressure: 1.12E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)OC(C)(C)C)C
(2)InChI: InChI=1/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-7-5-10(6-8-11)16(19)20/h5-9H,1-4H3,(H,15,18)/t9-/m0/s1

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