Propoctamine

Details

Stereochemistry	MIXED
Molecular Formula	C20H45N3
Molecular Weight	327.5914
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(CC)CNCC(C)(N)CNCC(CC)CCCC

InChI

InChIKey=STNVDPRWLDHKCY-UHFFFAOYSA-N

InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C20H45N3
Molecular Weight	327.5914
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:57:37 GMT 2025` Edited by `admin` on `Wed Apr 02 16:57:37 GMT 2025`
Record UNII	ES8LGA4CLQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Propoctamine

Common Name

English

HEXETIDINE IMPURITY B [EP IMPURITY]

Preferred Name

English

1,2,3-Propanetriamine, N1,N3-bis(2-ethylhexyl)-2-methyl-

Systematic Name

English

N1,N3-Bis(2-ethylhexyl)-2-methyl-1,2,3-propanetriamine

Systematic Name

English

N1,N3-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90958066

Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025

PRIMARY

CAS

3687-16-9

Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025

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FDA UNII

ES8LGA4CLQ

Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025

PRIMARY

PUBCHEM

107147

Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025

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Related Record Type Details


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HEXETIDINE

PARENT -> IMPURITY

Amount: