3-(Dimethylamino)propanoic acid

Base Information

• Chemical Name: 3-(Dimethylamino)propanoic acid
• CAS No.: 6300-04-5
• Molecular Formula: C5H11NO2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• NSC Number: 73153,45506
• DSSTox Substance ID: DTXSID40286407
• Nikkaji Number: J1.218.411E
• Mol file: 6300-04-5.mol

Synonyms:3-(dimethylamino)propanoic acid;6300-04-5;N,N-dimethyl-beta-alanine;3-(Dimethylamino)propionic acid;3-(Dimethylamino)propanoicacid;3-(N,N-Dimethylamino)propionic acid;3-dimethylaminopropanoic acid;3-DIMETHYLAMINOPROPIONIC ACID;MFCD00482234;dimethyl-b-alanine;NSC73153;N,N-dimethyl beta-alanine;NCIOpen2_000360;SCHEMBL103874;3-dimethylamino propionic acid;DTXSID40286407;CHEBI:138668;NSC45506;3-(N,N-dimethylamino)propanoic acid;GEO-02675;NSC 45506;NSC 73153;NSC-45506;NSC-73153;STK503283;AKOS005169842;SB74008;3-dimethylaminopropionic acid, AldrichCPR;BS-12862;BB 0216540;FT-0613767;EN300-51065;Z168912830

Chemical Property of 3-(Dimethylamino)propanoic acid

Chemical Property:

• Melting Point: 143-146℃
• Boiling Point: 140-142 °C(Press: 0.15 Torr)
• PKA: 3.67±0.14(Predicted)
• PSA: 40.54000
• Density: 1.037
• LogP: 0.02270
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

99% ^*data from raw suppliers

3-dimethylaminopropionic acid AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(=O)O

Technology Process of 3-(Dimethylamino)propanoic acid

There total 3 articles about 3-(Dimethylamino)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-methylphenyl 3,3-dimethylaminopropionate (62131-49-1) → p-cresol (106-44-5) + 3-dimethylaminopropionic acid (6300-04-5)

Guidance literature:

With water; In dimethyl sulfoxide; Rate constant; further solvent: EtOH, no solvent; k_{70percentDMSO}/k_{70percentEtOH} at 30 deg C;

Reference yield:

4-chlorophenyl 3,3-dimethylaminopropionate (62131-47-9) → 3-dimethylaminopropionic acid (6300-04-5) + 4-chloro-phenol (106-48-9,82344-39-6)

Guidance literature:

With water; In dimethyl sulfoxide; Rate constant; further solvent: EtOH, no solvent; k_{70percentDMSO}/k_{70percentEtOH} at 30 deg C;

Reference yield:

phenyl 3,3-dimethylaminopropionate (62131-48-0) → 3-dimethylaminopropionic acid (6300-04-5) + phenol (108-95-2,27073-41-2)

Guidance literature:

With water; In dimethyl sulfoxide; Rate constant; further solvent: EtOH, no solvent; k_{70percentDMSO}/k_{70percentEtOH} at 30 deg C;

upstream raw materials:

phenyl 3,3-dimethylaminopropionate

4-methylphenyl 3,3-dimethylaminopropionate

4-chlorophenyl 3,3-dimethylaminopropionate

Downstream raw materials:

olpadronate

Refernces