Basic Information | Post buying leads | Suppliers |
Name |
[(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid |
EINECS | N/A |
CAS No. | 313490-25-4 | Density | 1.272 g/cm3 |
PSA | 75.63000 | LogP | 3.38130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H16ClNO4 | Boiling Point | 431.5 °C at 760 mmHg |
Molecular Weight | 285.727 | Flash Point | 214.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid;N-Boc-(2'-Chlorophenyl)glycine; |
The CAS register number of [(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid is 313490-25-4. It also can be called as Benzeneacetic acid,2-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]- and the systematic name about this chemical is [(tert-butoxycarbonyl)amino](2-chlorophenyl)acetic acid. The molecular formula about this chemical is C13H16ClNO4 and the molecular weight is 285.72.
Physical properties about [(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.58; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 70.76 cm3; (14)Molar Volume: 224.4 cm3; (15)Polarizability: 28.05x10-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Flash Point: 214.8 °C; (18)Enthalpy of Vaporization: 72.43 kJ/mol; (19)Boiling Point: 431.5 °C at 760 mmHg; (20)Vapour Pressure: 3.27E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(3)InChIKey: XPFJZGJBRMTXCE-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(5)Std. InChIKey: XPFJZGJBRMTXCE-UHFFFAOYSA-N