3-Amino-1,1-dimethylurea

Base Information

• Chemical Name: 3-Amino-1,1-dimethylurea
• CAS No.: 40685-92-5
• Molecular Formula: C3H9 N3 O
• Molecular Weight: 103.1231
• Hs Code.: 2928000090
• European Community (EC) Number: 858-593-4
• NSC Number: 222377
• DSSTox Substance ID: DTXSID90310084
• Wikidata: Q82058878
• Mol file: 40685-92-5.mol

Synonyms:3-amino-1,1-dimethylurea;N,N-dimethylhydrazinecarboxamide;40685-92-5;4,4-dimethylsemicarbazide;NSC222377;SCHEMBL4992495;DTXSID90310084;MFCD00966001;AKOS005174047;NSC 222377;NSC-222377;SB86259;LS-04195;LS-76598;CS-0216766;EN300-59457;F8889-9243

Chemical Property of 3-Amino-1,1-dimethylurea

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 11.87±0.20(Predicted)
• Flash Point: °C
• PSA: 58.36000
• Density: 1.086g/cm³
• LogP: 0.22250
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 103.074561919
• Heavy Atom Count: 7
• Complexity: 70.6

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethylhydrazinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)NN

Technology Process of 3-Amino-1,1-dimethylurea

There total 4 articles about 3-Amino-1,1-dimethylurea 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:

N,N-Dimethylcarbamoyl chloride (79-44-7) → N,N-dimethylhydrazinecarboxamide (40685-92-5)

Guidance literature:

With diethyl ether; ethanol; hydrazine hydrate; at 0 ℃;

Reference yield:

dimethyl amine (124-40-3) + 4-nitrosemicarbazide → N,N-dimethylhydrazinecarboxamide (40685-92-5)

Guidance literature:

In water; at 75 - 85 ℃; for 4h;

DOI:10.1007/s11172-016-1336-9

Reference yield:

dimethyl-carbamic acid-(2,2,2-trifluoro-ethyl ester) (407-43-2) → N,N-dimethylhydrazinecarboxamide (40685-92-5)

Guidance literature:

With hydrazine; In ethanol; for 1.5h; Reflux;

DOI:10.1039/c4ra12425a

upstream raw materials:

N,N-Dimethylcarbamoyl chloride

dimethyl-carbamic acid-(2,2,2-trifluoro-ethyl ester)

dimethyl amine

ethyl N,N-dimethylcarbamate

Downstream raw materials:

2-Chlor-benzaldehyd-(4,4-dimethyl-semicarbazon)

4-Chlor-benzaldehyd-<4,4-dimethyl-semicarbazon>

C₁₆H₁₈N₄O₂

1-o-aminobenzoyl-4,4-dimethylsemicarbazide

Refernces

• 1、 -. "PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS". Paragraph 1020; 1021. . Retrieved 2019/02/24.
• 2、 -. "PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS". Paragraph 1019-1020. . Retrieved 2019/02/24.