7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-onedihydrochloride

7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;dihydrochloride

CAS: 1248-22-2

Molecular Formula	`C22H28Cl3N3O`
Molecular Weight	456.8 g/mol
Topological Polar Surface Area	35.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	455.1298
Heavy Atoms	29
Complexity	514.0

Chemical Identifiers

CAS Number	1248-22-2
SMILES	`CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl`
InChIKey	`ACRXWCHOYGQNEI-UHFFFAOYSA-N`

📖 Product Overview

7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-onedihydrochloride (CAS: 1248-22-2) is a chemical compound with molecular formula C22H28Cl3N3O and molecular weight 456.8 g/mol. Its IUPAC systematic name is 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;dihydrochloride. Topological Polar Surface Area 35.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 455.1298 Heavy Atoms 29 Complexity 514.0 InChI Key: ACRXWCHOYGQNEI-UHFFFAOYSA-N. SMILES: CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl.

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