BD 1008

CAT: 0024-sc-203426ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203426ASize:50 mg

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CAS Number

138356-08-8

Chemical Information

N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-1-pyrrolidineethanamine

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]ethanamine is a primary amine.

CAS Number	138356-08-8
PubChem CID	126388
IUPAC Name	2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
Molecular Formula	C15H22Cl2N2
Molecular Weight	301.3
XLogP	4
Topological Polar Surface Area	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	257

SMILES

CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2

InChI

InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3

InChIKey

ASGIQUHBAVIOTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138356-08-8

CID: 126388

Formula: C15H22Cl2N2

MW: 301.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.3
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	300.1160041
Monoisotopic Mass	300.1160041
Topological Polar Surface Area	6.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	257
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
sc-203837	BD 1047 dihydrobromide
sc-203838C	BD 1063 dihydrochloride
sc-203837A	BD 1047 dihydrobromide
sc-203838B	BD 1063 dihydrochloride
sc-203838	BD 1063 dihydrochloride
sc-203838D	BD 1063 dihydrochloride
sc-203838A	BD 1063 dihydrochloride
sc-286966	Sodium Pyruvate Solution 100 mM (100X)
sc-222442	ExactaCruz® Pipette Tips in Bulk Bags, 100-1000 μl, 1000/pack
sc-358873	ExactaCruz® Autoclavable Single Channel Pipettor, 100-1000 μl