Methyl 3-amino-4-cyano-5-piperidinothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-cyano-5-piperidinothiophene-2-carboxylate
• CAS No.: 499771-09-4
• Molecular Formula: C12H15 N3 O2 S
• Molecular Weight: 265.33
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00384837
• Wikidata: Q82177218
• ChEMBL ID: CHEMBL1901533
• Mol file: 499771-09-4.mol

Synonyms:499771-09-4;methyl 3-amino-4-cyano-5-piperidinothiophene-2-carboxylate;Methyl 3-amino-4-cyano-5-(piperidin-1-yl)thiophene-2-carboxylate;methyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate;Maybridge1_004747;Oprea1_716591;MLS000859240;SCHEMBL4487149;CHEMBL1901533;HMS554P17;DTXSID00384837;HMS2796O16;METHYL3-AMINO-4-CYANO-5-PIPERIDINOTHIOPHENE-2-CARBOXYLATE;MFCD00105183;CCG-238070;MS-22086;SMR000459419;FT-0628534;J-522135;Methyl3-amino-4-cyano-5-(piperidin-1-yl)thiophene-2-carboxylate;2-Thiophenecarboxylicacid,3-amino-4-cyano-5-(1-piperidinyl)-,methyl ester;methyl 3-amino-4-cyano-5-piperidinothiophene-2-carboxylate, AldrichCPR

Chemical Property of Methyl 3-amino-4-cyano-5-piperidinothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.29E-10mmHg at 25°C
• Melting Point: 184 °C
• Boiling Point: 506.1°Cat760mmHg
• Flash Point: 259.9°C
• PSA: 107.59000
• Density: 1.33g/cm³
• LogP: 2.62508
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 265.08849790
• Heavy Atom Count: 18
• Complexity: 362

Purity/Quality:

98%min ^*data from raw suppliers

METHYL 3-AMINO-4-CYANO-5-PIPERIDINOTHIOPHENE-2-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(S1)N2CCCCC2)C#N)N