3-(ISODECYLOXY)PROPYLAMMONIUM ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H29NO.C2H4O2
Molecular Weight	275.4274
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(ISODECYLOXY)PROPYLAMMONIUM ACETATE

Structure Search

SMILES

CC(O)=O.CC(C)CCCCCCCOCCCN

InChI

InChIKey=BOKTVFODBQQGIH-UHFFFAOYSA-N

InChI=1S/C13H29NO.C2H4O2/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14;1-2(3)4/h13H,3-12,14H2,1-2H3;1H3,(H,3,4)

HIDE SMILES / InChI

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

Molecular Formula	C13H29NO
Molecular Weight	215.3755
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 08:29:42 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:42 GMT 2023`
Record UNII	OGC5JC4WK0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(ISODECYLOXY)PROPYLAMMONIUM ACETATE

Systematic Name

English

3-((8-METHYLNONYL)OXY)PROPAN-1-AMINE ACETATE

Systematic Name

English

1-PROPANAMINE, 3-(ISODECYLOXY)-, ACETATE (1:1)

Systematic Name

English

1-PROPANAMINE, 3-(ISODECYLOXY)-, ACETATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

249-166-8

Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023

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CAS

28701-67-9

Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023

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PUBCHEM

120012

Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023

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FDA UNII

OGC5JC4WK0

Created by admin on Sat Dec 16 08:29:42 GMT 2023 , Edited by admin on Sat Dec 16 08:29:42 GMT 2023

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