DTXSID40949141

methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride

CAS: 26281-34-5

Molecular Formula	`C7H14ClN3O2`
Molecular Weight	207.66 g/mol
Topological Polar Surface Area	78.3 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	207.07745
Heavy Atoms	13
Complexity	203.0

Chemical Identifiers

CAS Number	26281-34-5
SMILES	`COC(=O)C1CCC[NH+]=C(N1)N.[Cl-]`
InChIKey	`TZSFAWOPLQFBMY-UHFFFAOYSA-N`

📖 Product Overview

DTXSID40949141 (CAS: 26281-34-5) is a chemical compound with molecular formula C7H14ClN3O2 and molecular weight 207.66 g/mol. Its IUPAC systematic name is methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride. Topological Polar Surface Area 78.3 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 207.07745 Heavy Atoms 13 Complexity 203.0 InChI Key: TZSFAWOPLQFBMY-UHFFFAOYSA-N. SMILES: COC(=O)C1CCC[NH+]=C(N1)N.[Cl-].

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