Aitheantas

Phenoxybenzamine

CAS 59-96-1 · C18H22ClNO

01Aitheantas

Lazychem ID	LC-100811
CAS RN	59-96-1
PubChem CID	4768
Molecular formula	C18H22ClNO
Molecular weight	303.8 g/mol
IUPAC name	N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine
InChIKey	QZVCTJOXCFMACW-UHFFFAOYSA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Phenoxybenzamine, CAS 59-96-1 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	2
Secondary amines	0
Tertiary amines	1

SMILES	CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
InChI	Gan liostú

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.