BRN 1087813

N-[(8-chlorobenzo[b][1,4]benzothiazepin-6-yl)methyl]-N',N'-dimethylethane-1,2-diamine

CAS: 6550-57-8

Molecular Formula	`C18H20ClN3S`
Molecular Weight	345.9 g/mol
LogP	3.7
Topological Polar Surface Area	52.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	345.10666
Heavy Atoms	23
Complexity	415.0

Chemical Identifiers

CAS Number	6550-57-8
SMILES	`CN(C)CCNCC1=NC2=CC=CC=C2SC3=C1C=C(C=C3)Cl`
InChIKey	`LGFFMPBXQOPBMN-UHFFFAOYSA-N`

📖 Product Overview

BRN 1087813 (CAS: 6550-57-8) is a chemical compound with molecular formula C18H20ClN3S and molecular weight 345.9 g/mol. Its IUPAC systematic name is N-[(8-chlorobenzo[b][1,4]benzothiazepin-6-yl)methyl]-N',N'-dimethylethane-1,2-diamine. LogP 3.7 Topological Polar Surface Area 52.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 345.10666 Heavy Atoms 23 Complexity 415.0 InChI Key: LGFFMPBXQOPBMN-UHFFFAOYSA-N. SMILES: CN(C)CCNCC1=NC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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