2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid supplier

Name
2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid
EINECS 604-604-1
CAS No. 512180-63-1
Article Data1
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O₆
Boiling Point 403.5 °C at 760 mmHg
Molecular Weight 296.28
Flash Point 197.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-;{4-[(tert-Butoxycarbonyl)amino]-2-nitrophenyl}acetic acid;
PSA 121.45000
LogP 3.16510

2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid Specification

The 2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid, with the CAS registry number 512180-63-1, is also known as Benzeneacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-. This chemical's molecular formula is C₁₃H₁₆N₂O₆ and molecular weight is 296.28. What's more, its systematic name is {4-[(tert-Butoxycarbonyl)amino]-2-nitrophenyl}acetic acid.

Physical properties of 2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 101.66 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 73.79 cm³; (15)Molar Volume: 217.7 cm³; (16)Polarizability: 29.25×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 197.8 °C; (20)Enthalpy of Vaporization: 69.05 kJ/mol; (21)Boiling Point: 403.5 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(NC(=O)OC(C)(C)C)c1)CC(=O)O
(2)InChI: InChI=1S/C13H16N2O6/c1-13(2,3)21-12(18)14-9-5-4-8(6-11(16)17)10(7-9)15(19)20/h4-5,7H,6H2,1-3H3,(H,14,18)(H,16,17)
(3)InChIKey: NIDVJUQDFSSGCK-UHFFFAOYSA-N

Product Name

2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid

2-(4-(tert-Butoxycarbonylamino)-2-nitrophenyl)acetic acid Specification

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