869779-53-3 ((Benzoic acid, 4-(1,4,7,10-tetraazacyclododec-1-ylmethyl)-)

CAS号:
869779-53-3
英文名称:
Benzoic acid, 4-(1,4,7,10-tetraazacyclododec-1-ylmethyl)-
分子式:
C16H26N4O2
分子量:
306.403243541718

Benzoic acid, 4-(1,4,7,10-tetraazacyclododec-1-ylmethyl)-(869779-53-3)名称与标识符

名称

英文别名:
Benzoic acid, 4-(1,4,7,10-tetraazacyclododec-1-ylmethyl)-;

标识符

InChIKey:
GAQJFWGDHAMSKU-UHFFFAOYSA-N
Inchi:
1S/C16H26N4O2/c21-16(22)15-3-1-14(2-4-15)13-20-11-9-18-7-5-17-6-8-19-10-12-20/h1-4,17-19H,5-13H2,(H,21,22)
SMILES:
C(O)(=O)C1=CC=C(CN2CCNCCNCCNCC2)C=C1

Benzoic acid, 4-(1,4,7,10-tetraazacyclododec-1-ylmethyl)-(869779-53-3)物化性质

实验特性

  • 沸点 : 505.9±50.0 °C(Predicted)
  • 酸度系数(pKa) : 4.33±0.10(Predicted)
  • 密度 : 1.083±0.06 g/cm3(Predicted)