1-(3-Chloro-benzylamino)-cyclohexanecarboxylic acid hydrochloride

CAS

939760-91-5

Catalog Number

ACM939760915

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of the compound?

The molecular formula of the compound is C14H19Cl2NO2.

What are the synonyms of the compound?

The synonyms of the compound are 1-(3-chlorobenzylamino)cyclohexanecarboxylic acid hydrochloride and 1-(3-Chloro-benzylamino)-cyclohexanecarboxylic acid hydrochloride.

What is the molecular weight of the compound?

The molecular weight of the compound is 304.2 g/mol.

What is the parent compound of the compound?

The parent compound of the compound is CID 16243697 (1-{[(3-Chlorophenyl)methyl]amino}cyclohexane-1-carboxylic acid).

What are the component compounds of the compound?

The component compounds of the compound are Hydrochloric Acid (CID 313) and CID 16243697 (1-{[(3-Chlorophenyl)methyl]amino}cyclohexane-1-carboxylic acid).

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-[(3-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid;hydrochloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H18ClNO2.ClH/c15-12-6-4-5-11(9-12)10-16-14(13(17)18)7-2-1-3-8-14;/h4-6,9,16H,1-3,7-8,10H2,(H,17,18);1H.

What is the InChIKey of the compound?

The InChIKey of the compound is DEQALIXDBPFPJQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CCC(CC1)(C(=O)O)NCC2=CC(=CC=C2)Cl.Cl.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 3.

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