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3-(4-Methylpiperazin-1-yl)benzaldehyde structure

3-(4-Methylpiperazin-1-yl)benzaldehyde

CAS：628325-62-2
MW:204.273
MF：C12H16N2O

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Names and ldentifier
Properties
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 3-(4-Methylpiperazin-1-yl)benzaldehyde

1.2 Synonyms: 3-(4-Methyl-1-piperazinyl)benzaldehyde; Benzaldehyde, 3-(4-Methyl-1-piperazinyl)-;

1.3 CAS No.: 628325-62-2

1.4 CID: 26338804

1.5 Molecular Formula: C12H16N2O

1.6 Inchi: InChI=1S/C12H16N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9-10H,5-8H2,1H3

1.7 InChkey: LQDFMHOZQXAHNJ-UHFFFAOYSA-N

1.8 Canonical Smiles: CN1CCN(CC1)C2=CC=CC(=C2)C=O

1.9 Isomers Smiles: CN1CCN(CC1)C2=CC=CC(=C2)C=O

2. Properties

2.1 pKa: 7.68±0.42(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. Synthesis Route

628325-62-2Total: 4 Synthesis Route

3132-99-8

3132-99-8 204 Suppliers

628325-62-2

628325-62-2 9 Suppliers

67437-93-8

67437-93-8 1 Suppliers

628325-62-2

628325-62-2 9 Suppliers

5. Precursor and Product

precursor:

67437-93-8

67437-93-8

109-01-3

109-01-3

3132-99-8

3132-99-8

75148-49-1

75148-49-1

17789-14-9

17789-14-9

product:

628325-61-1

628325-61-1

6. Computed Properties

Molecular Weight：204.273g/mol
Molecular Formula：C₁₂H₁₆N₂O
Compound Is Canonicalized：True
Exact Mass：1.3
XLogP3-AA：204.126263138
Monoisotopic Mass：204.126263138
Complexity：212
Rotatable Bond Count：2
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：23.6
Heavy Atom Count：：15
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：AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAAAAAADAjhmAYywIMAAACIAixSwACCAAAlAgAIiAEIZMgIYDLAlZGUIQhggADIyYcciACOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

7. Toltal 9 Suppliers View more

3-(4-Methylpiperazin-1-yl)benzaldehyde

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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3-(4-Methylpiperazin-1-yl)benzaldehyde

Atomax Chemicals Co.,Ltd

Tel: Update Time:2019/07/29

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3-(4-Methylpiperazin-1-yl)benzaldehyde

Shanghai Hope Chem Co., Ltd.

Tel: Update Time:2018/11/21

inquire

3-(4-Methylpiperazinyl)benzaldehyde

SHANGHAI ZZBIO CO., LTD.

Tel: Update Time:2019/02/23

inquire

628325-62-2

Shanghai Boyners Pharmaceutical co., LTD.

Tel: Update Time:2019/02/25

inquire

8. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

2. Properties

2.1 pKa

4. Synthesis Route

5. Precursor and Product

6. Computational chemical data

7. Toltal 9 Suppliers

8. Realated Product Infomation

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