42J

2-(3,4-dichlorophenyl)ethanamine

Created:	2015-01-22
Last modified:	2015-05-06

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7 entries where 42J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 42J

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Chemical Component Summary
Name	2-(3,4-dichlorophenyl)ethanamine
Systematic Name (OpenEye OEToolkits)	2-(3,4-dichlorophenyl)ethanamine
Formula	C₈ H₉ Cl₂ N
Molecular Weight	190.07
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1Cl)CCN
SMILES	CACTVS	3.385	NCCc1ccc(Cl)c(Cl)c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1CCN)Cl)Cl
Canonical SMILES	CACTVS	3.385	NCCc1ccc(Cl)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1CCN)Cl)Cl
InChI	InChI	1.03	InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKey	InChI	1.03	MQPUAVYKVIHUJP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	217958
ChEMBL	CHEMBL147230

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