Cas no 10589-94-3 (Deuteroporphyrin IX Dimethyl Ester)

Deuteroporphyrin IX Dimethyl Ester structure
10589-94-3 structure
Product Name:Deuteroporphyrin IX Dimethyl Ester
CAS No:10589-94-3
MF:C32H34N4O4
MW:538.64
MDL:MFCD00010033
CID:48671
PubChem ID:24867609
Update Time:2024-11-03

Deuteroporphyrin IX Dimethyl Ester Chemical and Physical Properties

Names and Identifiers

    • Pyroporphyrin dimethyl ester
    • Deuteroporphyrin IX dimethyl ester
    • Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
    • Deuteroporphyrin IX dimethyl ester,Dimethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
    • Deuteroporphyrin IX dimethyl ester from bovine blood
    • Deuteroporphyrin X dimethyl ester from bovine blood
    • 21H,23H-Porphine-2,18-dipropanoicacid, 3,7,12,17-tetramethyl-, 2,18-dimethyl ester
    • deuteroporfirin dimethyl ester
    • deuteroporphyrin IX methyl ester
    • Deuteroporphyrindimethylester
    • Dimethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
    • DPIX dimethyl ester
    • NSC 17451
    • min
    • Pyroporphyrin
    • DeuteroporphyrinIXdimethylesterpurplextl
    • DEUTEROPORPHYRIN IX DIMETHYL ESTER FROM&
    • Nsc17451
    • DeuteroporphyrinIX,dimethylester,min.97%
    • Deuteroporphyrin IX, dimethyl ester, min. 97%
    • DeuteroporphyrinX dimethyl ester from bovine blood
    • J-001498
    • DB-040662
    • Deuteroporphyrin IX dimethyl ester from bovine blood
    • Deuteroporphyrin IX dimethyl ester from bovine blood, technical grade, synthetic, 90%
    • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dimethyl ester
    • EINECS 234-195-0
    • HY-W073023
    • B2AR39YW5P
    • DTXSID90889381
    • methyl 3-[20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1{3,6}.1{8,11}.1{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoate
    • 10589-94-3
    • Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate, NSC 17451
    • DeuteroporphyrinIX dimethyl ester
    • CEPCOHFDZYMQHP-UHFFFAOYSA-N
    • methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
    • DEUTEROPORPHYRIN 1X DIMETHYL ESTER
    • 2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate
    • AKOS015908800
    • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, 2,18-dimethyl ester
    • Deuteroporphyrin IX, dimethyl ester
    • NSC-17451
    • BCP10891
    • SCHEMBL1283763
    • MFCD00010033
    • CS-0106131
    • SCHEMBL8078725
    • Deuteroporphyrin IX Dimethyl Ester
    • MDL: MFCD00010033
    • Inchi: 1S/C32H34N4O4/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22/h11-16,33,36H,7-10H2,1-6H3/b21-13-,22-14?,25-13?,26-15?,27-14-,28-15-,29-16?,30-16-
    • InChI Key: JDWKDJYBNJTDOW-RWJCOFQGSA-N
    • SMILES: CC1=C/C2=C/C3=N/C(C(CCC(OC)=O)=C3C)=C\C4=C(CCC(OC)=O)C(C)=C(N4)/C=C(C(C)=C5)\N=C5/C=C1\N2

Computed Properties

  • Exact Mass: 538.25800
  • Monoisotopic Mass: 538.258
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 887
  • 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
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: 3.7
  • Topological Polar Surface Area: 110A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.218
  • Melting Point: 217-220?°C (lit.)
  • Boiling Point: 996.386°C at 760 mmHg
  • Flash Point: 565.3°C
  • Refractive Index: 1.602
  • PSA: 108.90000
  • LogP: 3.01820
  • Solubility: Not available

Deuteroporphyrin IX Dimethyl Ester Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38
  • Safety Term:26-36
  • Storage Condition:Sealed in dry,2-8°C

Deuteroporphyrin IX Dimethyl Ester Pricemore >>

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