NSC 159413

3-(4-aminobenzoyl)oxypropyl-di(butan-2-yl)azanium chloride

CAS: 15154-33-3

Molecular Formula	`C18H31ClN2O2`
Molecular Weight	342.9 g/mol
Topological Polar Surface Area	56.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	342.2074
Heavy Atoms	23
Complexity	304.0

Chemical Identifiers

CAS Number	15154-33-3
SMILES	`CCC(C)[NH+](CCCOC(=O)C1=CC=C(C=C1)N)C(C)CC.[Cl-]`
InChIKey	`QTIKCYSVXGJFQC-UHFFFAOYSA-N`

📖 Product Overview

NSC 159413 (CAS: 15154-33-3) is a chemical compound with molecular formula C18H31ClN2O2 and molecular weight 342.9 g/mol. Its IUPAC systematic name is 3-(4-aminobenzoyl)oxypropyl-di(butan-2-yl)azanium chloride. Topological Polar Surface Area 56.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 342.2074 Heavy Atoms 23 Complexity 304.0 InChI Key: QTIKCYSVXGJFQC-UHFFFAOYSA-N. SMILES: CCC(C)[NH+](CCCOC(=O)C1=CC=C(C=C1)N)C(C)CC.[Cl-].

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