1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine structure

3D Mol Similar

1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine

Iupac Name：rubidium(1+);tetrafluoroborate

CAS No.: 18909-68-7

Molecular Weight：172.271

Modify Date.: 2022-02-11 09:42

Request For Quotation

1. Names and Identifiers

1.1 Name: 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine
1.2 Synonyms: 1-BOC-4-[4-(METHYLSULPHONYL)-2-NITROPHENYL]PIPERIDIN-4-AMINE 1-Piperidinecarboxylic acid, 4-amino-4-[4-(methylsulfonyl)-2-nitrophenyl]-, 1,1-dimethylethyl ester 2-Methyl-2-propanyl 4-amino-4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperidinecarboxylate MFCD07783459

1.3 CAS No.: 18909-68-7

1.4 CID: 23696894

1.5 Molecular Formula: C₁₂H₁₂N₂O₄ (isomer)

1.6 Inchi: InChI=1S/BF4.Rb/c2-1(3,4)5;/q-1;+1

1.7 InChkey: MERZTPVDEIGCOQ-UHFFFAOYSA-N

1.8 Canonical Smiles: [B-](F)(F)(F)F.[Rb+]

1.9 Isomers Smiles: [B-](F)(F)(F)F.[Rb+]

2. Properties

3.1 Density: 1.204±0.06 g/cm3(Predicted)

3.1 Melting point: decomposes at 612℃ [KIR78]

3.1 Precise Quality: 171.91500

3.1 PSA: 0.00000

3.1 logP: 1.30000

3. Safety and Handling

4.1 Risk Statements: 34

4.1 Safety Statements: 26-36/37/39

4.1 RIDADR: 1759

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)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight: 172.271g/mol
Molecular Formula: C_₁₂H_₁₂N_₂O_₄
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 171.9147076
Monoisotopic Mass: 171.9147076
Complexity: 23
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 0
Heavy Atom Count: 6
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: 2
CACTVS Substructure Key Fingerprint: AAADcQIAAcAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Recommended Suppliers

Global10SuppliersView all >>

Amitychem Corporation Diamond member

2YRS

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply Rubidium tetrafluoroborate(1-)

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2022/07/07

Inquire

run-biotech Co., Ltd. Audited Suppliers

Products:Pharmaceutical Discovery
Tel:86-21-61900721

1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2014/09/14

Inquire

Hangzhou Ocean Chemical Co., Ltd.

Tel:+86-571-88025872, 28272092, 28272096

Rubidium Tetrafluoroborate

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/metric ton
Time: 2022/07/21

Inquire

Hangzhou Asure Biotech Co., Ltd. Trading Company

Tel:+8657128295729

Rubidium Tetrafluoroborate

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

Inquire

Shanghai Yolne Chemical Co., Ltd

Tel:+86-21-62960152,61525205,61538832,61538837

RUBIDIUM TETRAFLUOROBORATE

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/23

Inquire

7. Realated Product Infomation

883500-35-4 N-[4-(METHYLSULFONYL)-2-NITROPHENYL]PIPERIDIN-4-AMINE

1531589-96-4 N-(5-(2,4,6-trimethylphenoxy)-2-nitrophenyl)-1-(4-(methylsulfonyl)benzyl)piperidin-4-amine|N-(5-(mesityloxy)-2-nitrophenyl)-1-(4-(methylsulfonyl)benzyl)piperidin-4-amine

170011-56-0 1-Boc-4-(4-nitrophenyl)Piperidine

199538-93-7 1-Boc-4-(2-((methylsulfonyl)oxy)butyl)piperidine

402927-97-3 1-(METHYLSULFONYL)PIPERIDIN-4-AMINE

18543-01-6 1-[4-(methylsulfonyl)-2-nitrophenyl]piperidine

651057-01-1 1-(METHYLSULFONYL)PIPERIDIN-4-AMINE HYDROCHLORIDE

Recently Updated : 445405-34-5 445405-43-6 445405-63-0 445409-92-7 445410-26-4 445414-12-0 445415-19-0 445416-01-3 445422-14-0 445422-21-9