N-Boc-(3'-chlorophenyl)glycine supplier

Name
N-Boc-(3'-chlorophenyl)glycine
EINECS
CAS No. 669713-92-2
Density 1.272 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆ClNO₄
Boiling Point 430.1 °C at 760 mmHg
Molecular Weight 285.72
Flash Point 213.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butoxycarbonylamino-(3-chloro-phenyl)-acetic acid;tert-Butoxycarbonylamino-(3-chlorophenyl)-aceticacid;Benzeneacetic acid, 3-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-;
PSA 75.63000
LogP 3.38130

N-Boc-(3'-chlorophenyl)glycine Specification

The systematic name of N-Boc-(3'-chlorophenyl)glycine is [(tert-butoxycarbonyl)amino](3-chlorophenyl)acetic acid. With the CAS registry number 669713-92-2, it is also named as Benzeneacetic acid, 3-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-. In addition, its molecular formula is C₁₃H₁₆ClNO₄ and its molecular weight is 285.72.

The other characteristics of N-Boc-(3'-chlorophenyl)glycine can be summarized as: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.16; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 70.76 cm³; (15)Molar Volume: 224.4 cm³; (16)Polarizability: 28.05×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 213.9 °C; (20)Enthalpy of Vaporization: 72.26 kJ/mol; (21)Boiling Point: 430.1 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(ccc1)C(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)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(3)InChIKey: BGMKFLAFNZFBBB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(5)Std. InChIKey: BGMKFLAFNZFBBB-UHFFFAOYSA-N

Product Name

N-Boc-(3'-chlorophenyl)glycine

N-Boc-(3'-chlorophenyl)glycine Specification

Related Products

Hot Products