Naphthidine

CAT: 0926-AAA48191-05Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-AAA48191-05Size:5 g

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CAS Number

481-91-4

MDL Number

MFCD00046438

Smiles

C1=CC=C2C (=C1) C (=CC=C2N) C3=CC=C (C4=CC=CC=C43) N

Molecular Formula

C20H16N2

Molecular Weight

284.4 g/mol

Controlled

Chemical Information

1,1'-Binaphthyl-4,4'-ylenediamine

CAS Number	481-91-4
PubChem CID	68078
IUPAC Name	4-(4-aminonaphthalen-1-yl)naphthalen-1-amine
Molecular Formula	C20H16N2
Molecular Weight	284.4
XLogP	4.7
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	346

SMILES

C1=CC=C2C(=C1)C(=CC=C2N)C3=CC=C(C4=CC=CC=C43)N

InChI

InChI=1S/C20H16N2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H,21-22H2

InChIKey

RZPBZEISZUFQSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 481-91-4

CID: 68078

Formula: C20H16N2

MW: 284.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.4
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	284.131348519
Monoisotopic Mass	284.131348519
Topological Polar Surface Area	52 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FN146903-01	2,7-Naphthyridine
AAA25350-01	2,6-Naphthyridine
IMB70454-01	Decahydro-1,6-naphthyridine
IMB68781-01	Decahydro-1,5-naphthyridine
IKB86492-01	1,5-Naphthyridine-2-carboxaldehyde
SVB92739-01	1,8-Naphthyridine-3-carbonitrile
SAA96576-01	5-bromo-1,7-naphthyridine
QAA93610	2-Chloro-1,8-naphthyridine
GAA86184-01	4-Chloro-1,6-naphthyridine
NCA84572-01	8-Bromo-1,7-naphthyridine