Cas no 106796-76-3 (Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-kN29,kN30,kN31,kN32]-)
![Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-kN29,kN30,kN31,kN32]- structure](https://ossimg.kuujia.com/scimg/107000/106796-76-3x500.png)
106796-76-3 structure
Product Name:Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-kN29,kN30,kN31,kN32]-
CAS No:106796-76-3
MF:C32H20N12Ni
MW:631.275004386902
CID:127311
PubChem ID:12145246
Update Time:2025-04-18
Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-kN29,kN30,kN31,kN32]- Chemical and Physical Properties
Names and Identifiers
-
- Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-kN29,kN30,kN31,kN32]-
- (TETRAAMINOPHTHALOCYANINATO)NICKEL(II)
- 29H,31H-Phthalocyanine-C,C,C,C-tetramine, nickel complex
- Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-N29,N30,N31,N32]-
- Nickel,[tetraaminophthalocyaninato(2-)]- (7CI)
- 2,9,16,23-Tetraamino-phthalocyanine nickel
- MFCD00210375
- 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetramine;nickel(2+)
- 106796-76-3
-
- Inchi： 1S/C32H20N12.Ni/c33-13-1-5-17-21(9-13)29-37-25(17)41-30-22-10-14(34)2-6-18(22)27(38-30)43-32-24-12-16(36)4-8-20(24)28(40-32)44-31-23-11-15(35)3-7-19(23)26(39-31)42-29;/h1-12H,33-36H2;/q-2;+2
- InChI Key： GJMLEICURSJLEK-UHFFFAOYSA-N
- SMILES： [Ni+2].[N-]1C2C3C=CC(=CC=3C1=NC1C3C=CC(=CC=3C(N=1)=NC1=C3C=CC(=CC3=C(N=C3C4C=CC(=CC=4C(=N3)N=2)N)[N-]1)N)N)N |c:10,45,t:22,33|
Computed Properties
- Exact Mass: 630.12900
- Monoisotopic Mass: 630.128730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 45
- Rotatable Bond Count: 0
- Complexity: 1310
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 180?2
Experimental Properties
- PSA: 188.10000
- LogP: 2.11800
Nickel,[29H,31H-phthalocyanine-C,C,C,C-tetraminato(2-)-kN29,kN30,kN31,kN32]- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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