![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/34302-69-7.gif)
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;
IUPAC Name
2,9-dimethyl-1,10-phenanthroline;hydrate;
Molecular Weight
434.543g/mol
Molecular Formula
C28H26N4O;
Canonical SMILES
CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.O;
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;
Complexity
227
Covalently-Bonded Unit Count
3
Exact Mass
434.211g/mol
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
33
Monoisotopic Mass
434.211g/mol
Topological Polar Surface Area
52.6A^2
UNII
2SDT9EV86W
