A-3 Hydrochloride

CAT: 0024-sc-221177Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-221177Size:10 mg

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CAS Number

78957-85-4

Chemical Information

N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride

CAS Number	78957-85-4
PubChem CID	9861903
IUPAC Name	N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride
Molecular Formula	C12H14Cl2N2O2S
Molecular Weight	321.2
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	369

SMILES

C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCN.Cl

InChI

InChI=1S/C12H13ClN2O2S.ClH/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14;/h1-6,15H,7-8,14H2;1H

InChIKey

VWAGIWCLJAQLAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78957-85-4

CID: 9861903

Formula: C12H14Cl2N2O2S

MW: 321.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	321.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	320.0153043
Monoisotopic Mass	320.0153043
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	369
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	2
Compound Is Canonicalized	Yes

Catalog	Name
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sc-226193	3,3-Difluoropyrrolidine hydrochloride
sc-299118	3,3-Dimethylpiperidine hydrochloride
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sc-313579	3,3-Dimethylpyrrolidine hydrochloride
sc-506835	3,3-Dimethylazetidine hydrochloride
sc-231937	3,3-Difluoroazetidine hydrochloride
sc-261133A	3,3,3-Trifluoropropylamine hydrochloride
sc-261133	3,3,3-Trifluoropropylamine hydrochloride
sc-214149	3-Noradamantanamine hydrochloride

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