1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H23ClN2O3.ClH
Molecular Weight	351.269
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride

Structure Search

SMILES

Cl.CN(C)CC(CN(C)C)OC(=O)COC1=CC=C(Cl)C=C1

InChI

InChIKey=VLLATZWEEPNWGU-UHFFFAOYSA-N

InChI=1S/C15H23ClN2O3.ClH/c1-17(2)9-14(10-18(3)4)21-15(19)11-20-13-7-5-12(16)6-8-13;/h5-8,14H,9-11H2,1-4H3;1H

HIDE SMILES / InChI

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

Molecular Formula	C15H23ClN2O3
Molecular Weight	314.808
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 17:32:23 GMT 2025` Edited by `admin` on `Wed Apr 02 17:32:23 GMT 2025`
Record UNII	WJU48F6DTC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride

Systematic Name

English

BCE-001

Preferred Name

English

BCE001

Code

English

Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl ester, hydrochloride (1:2)

Common Name

English

Acetic acid, (4-chlorophenoxy)-, 2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl ester, dihydrochloride

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60914871

Created by admin on Wed Apr 02 17:32:23 GMT 2025 , Edited by admin on Wed Apr 02 17:32:23 GMT 2025

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CAS

95678-81-2

Created by admin on Wed Apr 02 17:32:23 GMT 2025 , Edited by admin on Wed Apr 02 17:32:23 GMT 2025

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FDA UNII

WJU48F6DTC

Created by admin on Wed Apr 02 17:32:23 GMT 2025 , Edited by admin on Wed Apr 02 17:32:23 GMT 2025

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