Aminaftone

CAT: 0127-BUP08970-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08970-01Size:5 mg

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CAS Number

14748-94-8

Synonyms

Aminaphthone

Purity

=95%

Smiles

OC=1C2=C(C(O)=C(C)C1OC(=O)C3=CC=C(N)C=C3)C=CC=C2

Chemical Information

Aminaphthone

Aminaphthone is a member of naphthols.

CAS Number	14748-94-8
PubChem CID	84621
IUPAC Name	(1,4-dihydroxy-3-methylnaphthalen-2-yl) 4-aminobenzoate
Molecular Formula	C18H15NO4
Molecular Weight	309.3
XLogP	3.6
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	421

SMILES

CC1=C(C2=CC=CC=C2C(=C1OC(=O)C3=CC=C(C=C3)N)O)O

InChI

InChI=1S/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3

InChIKey

YLMPBJUYFTWHKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14748-94-8

CID: 84621

Formula: C18H15NO4

MW: 309.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.3
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	309.10010796
Monoisotopic Mass	309.10010796
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	421
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