W 12

CAT: 0127-BUP23750-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP23750-02Size:25 mg

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CAS Number

35517-12-5

Synonyms

W12, W-12, N- (4-Aminobutyl) -2-Naphthalenesulfonamide

MDL Number

MFCD00600073

Purity

≥98%

Smiles

O=S (=O) (NCCCCN) C=1C=CC=2C=CC=CC2C1

Chemical Information

N-(4-Aminobutyl)-2-Naphthalenesulfonamide

N-(4-aminobutyl)-2-naphthalenesulfonamide is a member of naphthalenes and a sulfonic acid derivative.

CAS Number	35517-12-5
PubChem CID	4298
IUPAC Name	N-(4-aminobutyl)naphthalene-2-sulfonamide
Molecular Formula	C14H18N2O2S
Molecular Weight	278.37
XLogP	0.6
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	364

SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN

InChI

InChI=1S/C14H18N2O2S/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,16H,3-4,9-10,15H2

InChIKey

BUGAJERDTXSWQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35517-12-5

CID: 4298

Formula: C14H18N2O2S

MW: 278.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.37
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	278.10889899
Monoisotopic Mass	278.10889899
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	364
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

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