Product Name

  • Name

    5-amino-N,N'-bis(2,3-dihydroxypropyl)isophthaldiamide

  • EINECS 278-555-5
  • CAS No. 76820-35-4
  • Article Data5
  • CAS DataBase
  • Density 1.428 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H21N3O6
  • Boiling Point 766 °C at 760 mmHg
  • Molecular Weight 327.337
  • Flash Point 417 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 76820-35-4 (5-amino-N,N'-bis(2,3-dihydroxypropyl)isophthaldiamide)
  • Hazard Symbols
  • Synonyms 1,3-Benzenedicarboxamide,5-amino-N,N'-bis(2,3-dihydroxypropyl)- (9CI);
  • PSA 165.14000
  • LogP -1.20220

1,3-Benzenedicarboxamide,5-amino-N1,N3-bis(2,3-dihydroxypropyl)- Specification

The 1,3-Benzenedicarboxamide,5-amino-N1,N3-bis(2,3-dihydroxypropyl)-, with the CAS registry number 76820-35-4, is also known as 5-Amino-N,N'-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide. Its EINECS registry number is 278-555-5. This chemical's molecular formula is C14H21N3O6 and molecular weight is 327.33304. What's more, its IUPAC name is called 5-Amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide.

Physical properties about 1,3-Benzenedicarboxamide,5-amino-N1,N3-bis(2,3-dihydroxypropyl)- are: (1)ACD/LogP: -3.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -3.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9 ; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 80.78 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 82.32 cm3; (15)Molar Volume: 229.2 cm3; (16)Surface Tension: 77.5 dyne/cm; (17)Density: 1.428 g/cm3; (18)Flash Point: 417 °C; (19)Enthalpy of Vaporization: 117.02 kJ/mol; (20)Boiling Point: 766 °C at 760 mmHg; (21)Vapour Pressure: 1.13E-24 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(cc(N)c1)C(=O)NCC(O)CO)NCC(O)CO
(2) InChI: InChI=1/C14H21N3O6/c15-10-2-8(13(22)16-4-11(20)6-18)1-9(3-10)14(23)17-5-12(21)7-19/h1-3,11-12,18-21H,4-7,15H2,(H,16,22)(H,17,23)
(3) InChIKey: XOZGAPXHJKSZCU-UHFFFAOYAS

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