1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H22ClNO.ClH
Molecular Weight	316.266
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one hydrochloride

Structure Search

SMILES

Cl.CCCCC(N1CCCC1)C(=O)C2=CC=C(Cl)C=C2

InChI

InChIKey=ZODWTDZKMUYGFZ-UHFFFAOYSA-N

InChI=1S/C16H22ClNO.ClH/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13;/h7-10,15H,2-6,11-12H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	C16H22ClNO
Molecular Weight	279.805
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:17:15 GMT 2025` Edited by `admin` on `Wed Apr 02 17:17:15 GMT 2025`
Record UNII	JB6E6BZN2J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one,monohydrochloride

Preferred Name

English

1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one hydrochloride

Systematic Name

English

1-Hexanone, 1-(4-chlorophenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)

Systematic Name

English

4-chloro-?-pyrrolidinohexanophenone hydrochloride

Systematic Name

English

Code System Code Type Description

CAS

2748592-29-0

Created by admin on Wed Apr 02 17:17:15 GMT 2025 , Edited by admin on Wed Apr 02 17:17:15 GMT 2025

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PUBCHEM

137700212

Created by admin on Wed Apr 02 17:17:15 GMT 2025 , Edited by admin on Wed Apr 02 17:17:15 GMT 2025

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EPA CompTox

DTXSID701344818

Created by admin on Wed Apr 02 17:17:15 GMT 2025 , Edited by admin on Wed Apr 02 17:17:15 GMT 2025

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FDA UNII

JB6E6BZN2J

Created by admin on Wed Apr 02 17:17:15 GMT 2025 , Edited by admin on Wed Apr 02 17:17:15 GMT 2025

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