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2-(benzylmethylamino)ethyl acetoacetate

CAS：54527-65-0
MW:249.30556
MF：C14H19NO3

Intermediate for the syntheses of different organic chemicals. Attributes Contact us for further information Contact 2-(benzylmethylamino)ethyl acetoacetate Supplier View more+

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-(benzylmethylamino)ethyl acetoacetate

1.2 Synonyms: 2-(benzylmethylamino)ethyl acetoacetate; 2-(Methyl(phenylmethyl)amino)ethyl 3-oxobutanoate; 2-(N-METHYL-N-BENZYLAMINO)ETHYL ACETOACETATE; 2-[Methyl(phenylmethyl)amino]ethyl 3-oxobutanoate; 2-Methyl-2-propanyl 3-amino-3-(4-methoxyphenyl)acrylate; 2-Propenoic acid, 3-amino-3-(4-methoxyphenyl)-, 1,1-dimethylethyl ester; Acetoacetic acid 2-(methylbenzylamino)ethyl ester; Acetoacetic acid N-benzyl-N-methyl-2-aminoethyl ester; Acetylacetic acid 2-(N-benzyl-N-methylamino)ethyl ester; Butanoic acid, 3-oxo-, 2-[methyl(phenylmethyl)amino]; Butanoic acid, 3-oxo-, 2-[methyl(phenylmethyl)amino]ethyl ester; TERT-BUTYL (E)-3-AMINO-3-(4-METHOXYPHENYL)PROP-2-ENOATE;

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1.3 CAS No.: 54527-65-0

1.4 CID: 3016887

1.5 EINECS: 259-197-9

1.6 Molecular Formula: C14H19NO3

1.7 Inchi: InChI=1S/C14H19NO3/c1-12(16)11-14(17)18-10-9-15-8-7-13-5-3-2-4-6-13/h2-6,15H,7-11H2,1H3

1.8 InChkey: PIJYKPHSPKGQGD-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(=O)CC(=O)OCCNCCC1=CC=CC=C1

1.10 Isomers Smiles: CC(=O)CC(=O)OCCNCCC1=CC=CC=C1

2. Properties

2.1 Chemical Properties: liquid

2.2 pKa: 10.44±0.46(Predicted)

3. Use and Manufacturing

3.1 Description: liquid

3.2 Usage: Intermediate for the syntheses of different organic chemicals. Attributes Contact us for further information Contact 2-(benzylmethylamino)ethyl acetoacetate Supplier

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Computed Properties

Molecular Weight：249.30556g/mol
Molecular Formula：C₁₄H₁₉NO₃
Compound Is Canonicalized：True
Exact Mass：1.5
XLogP3-AA：249.13649347
Monoisotopic Mass：249.13649347
Complexity：260
Rotatable Bond Count：9
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：55.4
Heavy Atom Count：：18
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAThmAYyCILABACIAqDSCAACAAAgAAAIiIEIAIgKIDaIkRGHIAAksACYiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Toltal 3 Suppliers View more

Factory Supply 2-(benzylmethylamino)ethyl acetoacetate

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

inquire

2-(N-Methyl-N-benzylamino)ethyl acetoacetate

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

LONZA AG

Tel: Update Time:2022/01/01

inquire

7. Realated Product Infomation