CAS No.2483-49-0,BOC-ALA-ONP Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2483-49-0
Name:	BOC-ALA-ONP
Article Data:	16

Formula:	C₁₄H₁₈N₂O₆
Molecular Weight:	310.307
Synonyms:	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;
EINECS:	219-621-5
Density:	1.237 g/cm³
Melting Point:	78 °C(Solv: methanol (67-56-1))
Boiling Point:	460.9 °C at 760 mmHg
Flash Point:	232.6 °C
PSA:	110.45000
LogP:	3.32750

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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
(3)InChIKey: SUHFNHHZORGDFI-VIFPVBQEBE