514214-66-5 ((Carbamic acid, N-[(1S)-2-(1H-benzotriazol-1-yl)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester)

CAS号:
514214-66-5
英文名称:
Carbamic acid, N-[(1S)-2-(1H-benzotriazol-1-yl)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester
分子式:
C20H22N4O3
分子量:
366.413684368134

Carbamic acid, N-[(1S)-2-(1H-benzotriazol-1-yl)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester(514214-66-5)名称与标识符

名称

英文别名:
Carbamic acid, N-[(1S)-2-(1H-benzotriazol-1-yl)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester;

标识符

InChIKey:
LPTOLLBNDYAVMY-INIZCTEOSA-N
Inchi:
1S/C20H22N4O3/c1-20(2,3)27-19(26)21-16(13-14-9-5-4-6-10-14)18(25)24-17-12-8-7-11-15(17)22-23-24/h4-12,16H,13H2,1-3H3,(H,21,26)/t16-/m0/s1
SMILES:
C(OC(C)(C)C)(=O)N[C@@H](CC1=CC=CC=C1)C(N1C2=CC=CC=C2N=N1)=O

Carbamic acid, N-[(1S)-2-(1H-benzotriazol-1-yl)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester(514214-66-5)物化性质

实验特性

  • 熔点 : 144-145 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
  • 酸度系数(pKa) : 10.53±0.46(Predicted)
  • 密度 : 1.23±0.1 g/cm3(Predicted)