7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-onedihydrochloride

7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride

CAS: 96401-70-6

Molecular Formula	`C17H26Cl2N2O2`
Molecular Weight	361.3 g/mol
Topological Polar Surface Area	32.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	360.13715
Heavy Atoms	23
Complexity	366.0

Chemical Identifiers

CAS Number	96401-70-6
SMILES	`CC1=CC2=C(C=C1)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl`
InChIKey	`ZTFKKHILHFCEGR-UHFFFAOYSA-N`

📖 Product Overview

7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-onedihydrochloride (CAS: 96401-70-6) is a chemical compound with molecular formula C17H26Cl2N2O2 and molecular weight 361.3 g/mol. Its IUPAC systematic name is 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride. Topological Polar Surface Area 32.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 360.13715 Heavy Atoms 23 Complexity 366.0 InChI Key: ZTFKKHILHFCEGR-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C=C1)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl.

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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-onedihydrochloride.

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