1,10-Phenanthroline monohydrochloride monohydrate

Catalog Number	ACM18851337-1
CAS	18851-33-7
Structure
Synonyms	1,10-Phenanthroline hydrochloride hydrate
IUPAC Name	1,10-phenanthroline;hydrate;hydrochloride
Molecular Weight	234.68
Molecular Formula	C12H11ClN2O
Canonical SMILES	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl
InChI	NDLHUHRGAIHALB-UHFFFAOYSA-N
InChI Key	InChI=1S/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2
Boiling Point	365.1 °C at 760 mmHg
Melting Point	224-225 °C-lit.
Purity	99%
Appearance	White fine crystalline powder
EC Number	223-325-1
Exact Mass	234.0559907
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Monoisotopic Mass	234.0559907
Rotatable Bond Count	0
Topological Polar Surface Area	26.8 Ų