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591-54-8

591-54-8 Structure

591-54-8 Structure
IdentificationMore
[Name]

4-Aminopyrimidine
[CAS]

591-54-8
[Synonyms]

4-AMINOPYRIMIDINE
PYRIMIDIN-4-AMINE
3,4-Dihydro-4-iminopyrimidine
4-Pyrimidinamine
4-Pyrimidineamine
6-Aminopyrimidine
Pyrimidin-4-ylamine
Aminopyrimidine
4-Pyrimidinamine (9CI)
4-AMINOPYRIMIDINE 98%
4-aminopyrimidine (pyrimidin-4-amine)
Pyrimidin-4(1H)-imine
Pyrimidin-4(3H)-imine
[EINECS(EC#)]

200-158-5
[Molecular Formula]

C4H5N3
[MDL Number]

MFCD00006112
[Molecular Weight]

95.1
[MOL File]

591-54-8.mol
Chemical PropertiesBack Directory
[Appearance]

White to slightly beige crystals or powder
[Melting point ]

154-156 °C (lit.)
[Boiling point ]

167.6°C (rough estimate)
[density ]

1.1031 (rough estimate)
[refractive index ]

1.5200 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Crystals or Powder
[pka]

5.71(at 20℃)
[color ]

White to slightly beige
[Water Solubility ]

Slightly soluble in water.
[λmax]

273nm(EtOH)(lit.)
[InChI]

InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
[InChIKey]

OYRRZWATULMEPF-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(N)=N1
[CAS DataBase Reference]

591-54-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyrimidine, 4-amino-,(591-54-8)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Diethyl ether-->Sodium sulfate-->Ammonium hydroxide-->Ammonia-->Acetonitrile-->Formaldehyde-->Potassium permanganate-->Carbon dioxide-->p-Anisidine-->Palladium hydroxide-->Potassium-->Sodium cyanoborohydride-->4-Amino-2,6-dichloropyrimidine-->Pyrimidine
[Preparation Products]

5-Bromopyrimidin-4-amine
Hazard InformationBack Directory
[Chemical Properties]

White to slightly beige crystals or powder
[Uses]

4-Aminopyrimidine has been used in the preparation of 1:4-dihydro-4-imino-1-methylpyrimidine hydriodide.
[Definition]

ChEBI: Pyrimidin-4-amine is an aminopyrimidine.
[General Description]

The consequences of one-electron oxidation and one-electron reduction were studied for 4-aminopyrimidine.
[Purification Methods]

Recrystallise 10.6g of aminopyrimidine from hot EtOAc (200mL) to give 7.4g colourless needles as first crop; evaporation to 25mL gives a second crop of 1.7g. The hydroiodide has m 180o. The picrate has m 225o. [Brown J Soc Chem Ind (London) 69 353 1950, Beilstein 24 H 81, 24 III/IV 2130.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Aminopyrimidine(591-54-8)1HNMR
4-Aminopyrimidine(591-54-8)IR
4-Aminopyrimidine(591-54-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Aminopyrimidine, 98%(591-54-8)
[Alfa Aesar]

4-Aminopyrimidine, 98%(591-54-8)
[Sigma Aldrich]

591-54-8(sigmaaldrich)
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