5,6-Diamino-1,10-phenanthroline - CAS 168646-54-6

Catalog:	BB054654
Product Name:	5,6-Diamino-1,10-phenanthroline
CAS:	168646-54-6
Synonyms:	5,6-Diamine-1,10-phenanthroline

Technical Data

Computed Properties

IUPAC Name:	1,10-phenanthroline-5,6-diamine
Molecular Weight:	210.23
Molecular Formula:	C12H10N4
Canonical SMILES:	C1=CC2=C(C(=C3C=CC=NC3=C2N=C1)N)N
InChI:	InChI=1S/C12H10N4/c13-9-7-3-1-5-15-11(7)12-8(10(9)14)4-2-6-16-12/h1-6H,13-14H2
InChI Key:	MNXMBMNXSPNINS-UHFFFAOYSA-N
Boiling Point:	492.7±40.0°C (Predicted)
Melting Point:	155-156°C
Purity:	≥95%
Density:	1.414±0.06 g/cm3 (Predicted)
Storage:	Store at RT under inert atmosphere

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Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.090546336
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.090546336
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1