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| CAS No.: | 57294-74-3 |
|---|---|
| Name: | N4-AMINOCYTIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H14 N4 O5 |
| Molecular Weight: | 258.234 |
| Synonyms: | Cytidine,N-amino-; N4-Aminocytidine |
| Density: | 1.93g/cm3 |
| Boiling Point: | 555.5°Cat760mmHg |
| Flash Point: | 289.8°C |
| Risk Codes: | R46; R20/21/22 |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 140.31000 |
| LogP: | -1.88840 |
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- Total:17 Page 1 of 1 1
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Chemistry
Molecule structure of N(4)-Aminocytidine (CAS NO.57294-74-3):
IUPAC Name: 1-[(3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydrazinylpyrimidin-2-one
Molecular Weight: 258.23126 g/mol
Molecular Formula: C9H14N4O5
Density: 1.93 g/cm3
Boiling Point: 555.5 °C at 760 mmHg
Flash Point: 289.8 °C
Index of Refraction: 1.776
Molar Refractivity: 55.69 cm3
Molar Volume: 133.1 cm3
Polarizability: 22.08×10-24 cm3
Surface Tension: 94.2 dyne/cm
Enthalpy of Vaporization: 96.17 kJ/mol
Vapour Pressure: 1.18E-14 mmHg at 25 °C
XLogP3: -2.5
H-Bond Donor: 5
H-Bond Acceptor: 7
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 258.09642
MonoIsotopic Mass: 258.09642
Topological Polar Surface Area: 141
Heavy Atom Count: 18
Complexity: 398
Defined Atom StereoCenter Count: 3
Undefined Atom StereoCenter Count: 1
Canonical SMILES: C1=CN(C(=O)N=C1NN)C2C(C(C(O2)CO)O)O
Isomeric SMILES: C1=CN(C(=O)N=C1NN)C2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H14N4O5/c10-12-5-1-2-13(9(17)11-5)8-7(16)6(15)4(3-14)18-8/h1-2,4,6-8,14-16H,3,10H2,(H,11,12,17)/t4-,6-,7-,8?/m1/s1
InChIKey: RSSRMDMJEZIUJX-ZRTZXPPTSA-N
Storage Temp.: 2-8 °C
Product Categories: Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides
Toxicity Data With Reference
| 1. | mmo-sat 50 nmol/plate | NARHAD Nucleic Acids Research. 11 (1983),5223. | ||
| 2. | mmo-omi 10 µmol/L | NARHAD Nucleic Acids Research. 11 (1983),5223. | ||
| 3. | mmo-omi 50 µmol/L | BICHAW Biochemistry. 24 (1985),7273. |
Safety Profile
Hazard Codes: 
T
Risk Statements: 46-20/21/22
R46:May cause heritable genetic damage.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 53-22-36/37/39-45
S53:Avoid exposure - obtain special instructions before use.
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: YU8055000
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
N(4)-Aminocytidine (CAS NO.57294-74-3) is also named as CCRIS 2527 ; N(sup 4)-Aminocytidine ; N4-Aminocytidine Uridine, 4-hydrazone . N(4)-Aminocytidine (CAS NO.57294-74-3) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.