N-(2-Aminoethyl)-N,N'-dioctylethylenediamine acetate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H45N3.C2H4O2
Molecular Weight	387.6434
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2-Aminoethyl)-N,N'-dioctylethylenediamine acetate

Structure Search

SMILES

CC(O)=O.CCCCCCCCNCCN(CCN)CCCCCCCC

InChI

InChIKey=BOOBJJPWEQETHY-UHFFFAOYSA-N

InChI=1S/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-16-22-17-20-23(19-15-21)18-14-12-10-8-6-4-2;1-2(3)4/h22H,3-21H2,1-2H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula	C20H45N3
Molecular Weight	327.5914
Charge	0
Count

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
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 12:23:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:23:27 GMT 2023`
Record UNII	37MLU3FM2H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(2-Aminoethyl)-N,N'-dioctylethylenediamine acetate

Systematic Name

English

1,2-Ethanediamine, N1-(2-aminoethyl)-N1,N2-dioctyl-, acetate (1:?)

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

298-808-3

Created by admin on Sat Dec 16 12:23:27 GMT 2023 , Edited by admin on Sat Dec 16 12:23:27 GMT 2023

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CAS

93839-38-4

Created by admin on Sat Dec 16 12:23:27 GMT 2023 , Edited by admin on Sat Dec 16 12:23:27 GMT 2023

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FDA UNII

37MLU3FM2H

Created by admin on Sat Dec 16 12:23:27 GMT 2023 , Edited by admin on Sat Dec 16 12:23:27 GMT 2023

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EPA CompTox

DTXSID00239737

Created by admin on Sat Dec 16 12:23:27 GMT 2023 , Edited by admin on Sat Dec 16 12:23:27 GMT 2023

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PUBCHEM

44144890

Created by admin on Sat Dec 16 12:23:27 GMT 2023 , Edited by admin on Sat Dec 16 12:23:27 GMT 2023

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Related Record Type Details


					ZM6WR46K4C

N-(2-Aminoethyl)-N,N'-dioctylethylenediamine

PARENT -> SALT/SOLVATE

Amount: