BD-1047 2HBr 50mg

CAT: 0628-A13196-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13196-50Size:50 mg

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CAS Number

138356-21-5

Chemical Information

N~1~-(2-(3,4-Dichlorophenyl)ethyl)-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine--hydrogen bromide (1/2)

CAS Number	138356-21-5
PubChem CID	45073418
IUPAC Name	N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine;dihydrobromide
Molecular Formula	C13H22Br2Cl2N2
Molecular Weight	437.0
Topological Polar Surface Area	6.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	212

SMILES

CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl.Br.Br

InChI

InChI=1S/C13H20Cl2N2.2BrH/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11;;/h4-5,10H,6-9H2,1-3H3;2*1H

InChIKey

WOALTFHGLDVJHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138356-21-5

CID: 45073418

Formula: C13H22Br2Cl2N2

MW: 437.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	437.0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	435.95063
Monoisotopic Mass	433.95268
Topological Polar Surface Area	6.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	212
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	3
Compound Is Canonicalized	Yes