AG003G7F

34302-69-7 | 2,9-Dimethyl-1,10-phenanthroline hemihydrate

AG003G7F

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CAS Number	34302-69-7
Catalog Number	AG003G7F(AGN-PC-0R9OI1)
Chemical Name	2,9-Dimethyl-1,10-phenanthroline hemihydrate
IUPAC Name	2,9-dimethyl-1,10-phenanthroline;hydrate
InChI	InChI=1S/2C14H12N2.H2O/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*3-8H,1-2H3;1H2
InChI Key	IEBXFSLFDFHSRD-UHFFFAOYSA-N
MDL Number	MFCD00149308
Molecular Formula	C27H24N4O
Molecular Weight	420.5057
SMILES	CC1=CC=C(C=CC2=CC=C(C)N=C32)C3=N1.[H]O[H].CC4=CC=C(C=CC5=CC=CN=C65)C6=N4
UNII	2SDT9EV86W
Synonyms	UNII-2SDT9EV86W, 34302-69-7, 2SDT9EV86W, Neocuproine hemihydrate, 99+%, MFCD00149306, Neocuproine hemihydrate [MI], 1,10-Phenanthroline, 2,9-dimethyl-, hemihydrate, 1,10-Phenanthroline, 2,9-dimethyl-, hydrate (2:1), SCHEMBL8652007, Neocuproine, Neocuproine hemihydrate, 2,9-DIMETHYL-1,10-PHENANTHROLINE HEMIHYDRATE, 2,9-Dimethyl-1,10-phenthroline hemihydrate, 2,9-Dimethyl-1,10-phenanthroline hemihydrate, 98% 5g, 2,9-Dimethyl-1,10-phenanthroline hemihydrate, 98% - 25G 25g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	434.211g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	434.543g/mol
Monoisotopic Mass	434.211g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H302-H315-H318-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

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