Cas no 68929-05-5 (21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2))

21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2) structure
68929-05-5 structure
Product Name:21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2)
CAS No:68929-05-5
MF:C30H32Cl2N4O4
MW:583.505485534668
CID:508160
PubChem ID:21118834
Update Time:2025-04-19

21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2) Chemical and Physical Properties

Names and Identifiers

    • 21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2)
    • Deuteroporphyrin IX dihydrochloride
    • Deuteroporphyrin IX dihydrochloride,3,7,12,17-Tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride
    • 3,7,12,17-Tetramethyl-21H,23H-porphine-2,18-dipropanoic acid hydrochloride
    • 3,7,12,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPIONIC ACID DIHYDROCHLORIDE
    • deuteroporphyrinix2HCl
    • SCHEMBL10590079
    • UNII-65H5OXY28Q
    • 68929-05-5
    • SCHEMBL3791388
    • 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
    • 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid
    • 3,3'-(3,7,12,17-Tetramethylporphyrin-2,18-diyl)dipropionic acid dihydrochloride
    • 65H5OXY28Q
    • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, hydrochloride (1:2)
    • EINECS 273-037-5
    • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dihydrochloride
    • deuteroporphyrin dihydrochloride
    • CRUCDRBIKFXOMR-YEGLKJMZSA-N
    • CRUCDRBIKFXOMR-YJKKSLNZSA-N
    • Inchi： 1S/C30H30N4O4.2ClH/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38);2*1H/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;;
    • InChI Key： WHBYKWKOLACDOX-YEGLKJMZSA-N
    • SMILES： Cl.Cl.OC(CCC1=C(C)C2=CC3=C(C)C=C(C=C4C(C)=CC(=CC5C(C)=C(CCC(=O)O)C(=CC1=N2)N=5)N4)N3)=O |t:7,14,19,30|

Computed Properties

  • Exact Mass: 582.18000
  • Monoisotopic Mass: 510.227
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 6
  • Complexity: 856
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 132A^2

Experimental Properties

  • Color/Form: 無色 或淡黃色液體帶有特有的
  • Density: 1.305
  • Boiling Point: 1134.2°Cat760mmHg
  • Flash Point: 639.7°C
  • Refractive Index: 1.645
  • PSA: 130.90000
  • LogP: 4.44540

21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2) Security Information

21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, hydrochloride (1:2) Pricemore >>

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