(1-imino-1H-isoindol-3-amine-N2)(methanol)(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
Basic information
- CAS
93940-95-5- Standard SMILES
CO.N=C1N=C(N)c2ccccc21.[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
RUGMXDLZLHRAOX-UHFFFAOYSA-N- Molecular formula
- C41H27CuN11O
- Average molar mass
- 753.3 g/mol
- Monoisotopic mass
- 752.169602
Names & identifiers
- Preferred name
- (1-imino-1H-isoindol-3-amine-N2)(methanol)(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
- IUPAC
- copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-iminoisoindol-1-amine;methanol
Names & synonyms
EINECS 300-494-0(1-Imino-1H-isoindol-3-amine-N2)(methanol)(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper(1-imino-1H-isoindol-3-amine-N2)(methanol)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copperCopper, (1-imino-1H-isoindol-3-amine-N2)(methanol)(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, (OC-6-32)-Copper, (1-imino-1H-isoindol-3-amine-N2)(methanol)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (OC-6-32)-RefChem:392234300-494-093940-95-5
Database identifiers
- CAS
93940-95-5- PubChem CID
- 56841197
- EC Number
- 300-494-0
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,300
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
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Related reactions
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Compound notes
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