Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H19Cl2NO3.C12H23N
Molecular Weight	501.529
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate

Structure Search

SMILES

C1CCC(CC1)NC2CCCCC2.CC(C)(OC3=CC=C(C=C3)N(CCCl)CCCl)C(O)=O

InChI

InChIKey=SWGFIAPTKLELBN-UHFFFAOYSA-N

InChI=1S/C14H19Cl2NO3.C12H23N/c1-14(2,13(18)19)20-12-5-3-11(4-6-12)17(9-7-15)10-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-6H,7-10H2,1-2H3,(H,18,19);11-13H,1-10H2

HIDE SMILES / InChI

Molecular Formula	C12H23N
Molecular Weight	181.3177
Charge	0
Count

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

Molecular Formula	C14H19Cl2NO3
Molecular Weight	320.212
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 `Sat Dec 16 12:47:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:47:38 GMT 2023`
Record UNII	6FA4JHJ3UF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate

Systematic Name

English

NSC-135062

Code

English

Propanoic acid, 2-(4-(bis(2-chloroethyl)amino)phenoxy)-2-methyl-, compd. with N-cyclohexylcyclohexanamine (1:1)

Systematic Name

English

Code System Code Type Description

CAS

34919-66-9