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| CAS No.: | 71-30-7 |
|---|---|
| Name: | Cytosine |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5N3O |
| Molecular Weight: | 111.103 |
| Synonyms: | Cyt;2 (1H)-Pyrimidinone, 4-amino-;Cyto sine;4-aminopyrimidin-2(1H)-one;4-amino-2-hydroxypyrimidine;Zytosin;4-amino-2(1H)-pyrimidinone;Cytosine 99.0% min;Cytosine;4-Amino-2(1H)-pyrimidinone;2-Oxy-4-amino pyrimidine;4-amino-2-pyrimidinol;Cytosin;Cytosine (8CI);2(1H)-Pyrimidinone, 4-amino-;4-Aminouracil;2(1H)-pyrimidinone, 6-amino-;4-amino-2-oxo-1,2-dihydropyrimidine;4-amino-3H-pyrimidin-2-one;2(1H)-Pyrimidinone, 4-amino- (9CI); |
| EINECS: | 200-749-5 |
| Density: | 1.55 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 445.8 °C at 760 mmHg |
| Flash Point: | 223.4 °C |
| Solubility: | soluble in water |
| Appearance: | white solid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-37/39 |
| PSA: | 71.77000 |
| LogP: | -0.06670 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
A
- 117839-37-9
6-methoxy-2-(p-tolyl)quinoline
B
- 71-30-7
Cytosine
C
- 117839-39-1
6-methoxy-4-methyl-2-(p-tolyl)quinoline
| Conditions | Yield |
|---|---|
| In isopropyl alcohol Irradiation; 350 nm; | A n/a B 94% C n/a |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide at 80℃; for 20h; Temperature; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-hydroxylacrylic nitrile With sodium t-butanolate In tert-butyl alcohol Stage #2: urea In tert-butyl alcohol at 50℃; for 8h; Solvent; Reagent/catalyst; Temperature; | 91.5% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-hydroxylacrylic nitrile With sodium methylate In methanol Stage #2: urea, monosodium salt In methanol at 40℃; for 6h; | 91.5% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-hydroxylacrylic nitrile With sodium methylate In methanol Stage #2: urea, monopotassium salt In methanol at 40℃; for 6h; | 91.5% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 100℃; for 1h; Temperature; | 91.2% |
| With hydrogenchloride; water |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 90℃; for 1h; | 90.9% |
- 60722-70-5
2-benzylsulfanyl-pyrimidin-4-ylamine
- 71-30-7
Cytosine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 90℃; for 1h; | 90.6% |
- 54308-63-3
2-ethylsulfanyl-pyrimidin-4-ylamine
- 71-30-7
Cytosine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 90℃; for 1h; | 89.7% |
| With ethanol; water; dihydrogen peroxide |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In toluene for 12h; Reflux; | 89% |
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- 16893-85-9Sodium fluorosilicate
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- 65-19-0Yohimban-16-carboxylicacid,17-hydroxy-,methyl ester, hydrochloride (1:1), (16a,17a)-
- 82657-04-3Bifenthrin
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
Molecule structure of Cytosine (CAS NO.71-30-7):
IUPAC Name: 6-Amino-1H-pyrimidin-2-one
Molecular Weight: 111.102 g/mol
Molecular Formula: C4H5N3O
Density: 1.55 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 445.8 °C at 760 mmHg
Flash Point: 223.4 °C
Index of Refraction: 1.688
Molar Refractivity: 27.3 cm3
Molar Volume: 71.5 cm3
Surface Tension: 69.2 dyne/cm
Enthalpy of Vaporization: 73.1 kJ/mol
Vapour Pressure: 1.46E-08 mmHg at 25 °C
Storage Temp.: store at RT.
Water Solubility: soluble
XLogP3: -1.7
H-Bond Donor: 2
H-Bond Acceptor: 2
Tautomer Count: 9
Exact Mass: 111.043262
MonoIsotopic Mass: 111.043262
Topological Polar Surface Area: 67.5
Heavy Atom Count: 8
Canonical SMILES: C1=C(NC(=O)N=C1)N
InChI: InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
EINECS: 200-749-5
Product Categories: Pharmaceutical Intermediates; PYRIMIDINE; FINE Chemical & INTERMEDIATES; Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine series; Nucleotides and Nucleosides; Cidofovir; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Nucleic acids; Bases & Related Reagents; Nucleotides
History
In 1894, Cytosine was discovered by Albrecht Kossel when it was hydrolysed from calf thymus tissues. A structure was proposed in 1903, and was synthesized in the laboratory in the same year. The first time any quantum mechanical properties were harnessed to process information took place on August 1st in 1998 when researchers at Oxford implemented David Deutsch's algorithm on a two qubit NMRQC based on the cytosine molecule.
Uses
Cytosine (CAS NO.71-30-7) is used as pharmaceutical intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 2222mg/kg (2222mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 207, Pg. 504, 1978. |
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: UW7350150
Hazard Note: Irritant
Specification
Cytosine (CAS NO.71-30-7) is also named as 4-Amino-2(1H)-pyrimidinone ; 4-Amino-2-hydroxypyrimidine ; AI3-52281 ; Cyt ; Cytosinimine ; NSC 27787 ; 2(1H)-Pyrimidinone, 4-amino- . Cytosine (CAS NO.71-30-7) is white solid.