2-(Benzylmethylamino)ethyl acetoacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H19NO3
Molecular Weight	249.3056
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(Benzylmethylamino)ethyl acetoacetate

Structure Search

SMILES

CN(CCOC(=O)CC(C)=O)CC1=CC=CC=C1

InChI

InChIKey=HPHPTGDPZSEYMB-UHFFFAOYSA-N

InChI=1S/C14H19NO3/c1-12(16)10-14(17)18-9-8-15(2)11-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H19NO3
Molecular Weight	249.3056
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 10:41:01 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:01 GMT 2023`
Record UNII	64D7EYX3Z5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(Benzylmethylamino)ethyl acetoacetate

Systematic Name

English

2-[Methyl(phenylmethyl)amino]ethyl 3-oxobutanoate

Systematic Name

English

Butanoic acid, 3-oxo-, 2-[methyl(phenylmethyl)amino]ethyl ester

Systematic Name

English

Code System Code Type Description

CAS

54527-65-0

Created by admin on Sat Dec 16 10:41:01 GMT 2023 , Edited by admin on Sat Dec 16 10:41:01 GMT 2023

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ECHA (EC/EINECS)

259-197-9

Created by admin on Sat Dec 16 10:41:01 GMT 2023 , Edited by admin on Sat Dec 16 10:41:01 GMT 2023

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EPA CompTox

DTXSID20866428

Created by admin on Sat Dec 16 10:41:01 GMT 2023 , Edited by admin on Sat Dec 16 10:41:01 GMT 2023

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FDA UNII

64D7EYX3Z5

Created by admin on Sat Dec 16 10:41:01 GMT 2023 , Edited by admin on Sat Dec 16 10:41:01 GMT 2023

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PUBCHEM

11776829

Created by admin on Sat Dec 16 10:41:01 GMT 2023 , Edited by admin on Sat Dec 16 10:41:01 GMT 2023

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