2,2-Bis(hydroxymethyl)butyl 6-aminohexanoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H25NO4
Molecular Weight	247.3312
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-Bis(hydroxymethyl)butyl 6-aminohexanoate

Structure Search

SMILES

CCC(CO)(CO)COC(=O)CCCCCN

InChI

InChIKey=DWVOZKAOIUGQCB-UHFFFAOYSA-N

InChI=1S/C12H25NO4/c1-2-12(8-14,9-15)10-17-11(16)6-4-3-5-7-13/h14-15H,2-10,13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H25NO4
Molecular Weight	247.3312
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 19:34:28 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:28 GMT 2025`
Record UNII	F557GC7UE3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-Bis(hydroxymethyl)butyl 6-aminohexanoate

Systematic Name

English

Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester

Preferred Name

English

Code System Code Type Description

PUBCHEM

106548

Created by admin on Wed Apr 02 19:34:28 GMT 2025 , Edited by admin on Wed Apr 02 19:34:28 GMT 2025

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FDA UNII

F557GC7UE3

Created by admin on Wed Apr 02 19:34:28 GMT 2025 , Edited by admin on Wed Apr 02 19:34:28 GMT 2025

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CAS

68084-20-8

Created by admin on Wed Apr 02 19:34:28 GMT 2025 , Edited by admin on Wed Apr 02 19:34:28 GMT 2025

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ECHA (EC/EINECS)

268-431-9

Created by admin on Wed Apr 02 19:34:28 GMT 2025 , Edited by admin on Wed Apr 02 19:34:28 GMT 2025

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EPA CompTox

DTXSID2071073

Created by admin on Wed Apr 02 19:34:28 GMT 2025 , Edited by admin on Wed Apr 02 19:34:28 GMT 2025

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