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| CAS No.: | 7164-43-4 |
|---|---|
| Name: | 5-Aminoorotic acid |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5N3O4 |
| Molecular Weight: | 171.112 |
| Synonyms: | 4-Pyrimidinecarboxylicacid, 5-amino-2,6-dihydroxy- (6CI);Orotic acid, 5-amino- (7CI,8CI);5-Amino-2,4-dihydroxypyrimidine-6-carboxylicacid;5-Amino-2,6-dihydroxypyrimidine-4-carboxylic acid;5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid;4-Pyrimidinecarboxylicacid, 5-amino-1,2,3,6-tetrahydro-2,6-dioxo-;NSC 43249; |
| EINECS: | 230-514-2 |
| Density: | 1.7 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 632.8 °C at 760 mmHg |
| Flash Point: | 336.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 129.04000 |
| LogP: | -1.07520 |
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Chemistry
Molecule structure of 5-Aminoorotic acid (CAS NO.7164-43-4):
IUPAC Name: 5-Amino-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Molecular Weight: 171.1109 g/mol
Molecular Formula: C5H5N3O4
Density: 1.7 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 632.8 °C at 760 mmHg
Flash Point: 336.5 °C
Index of Refraction: 1.605
Molar Refractivity: 34.66 cm3
Molar Volume: 100.6 cm3
Surface Tension: 78.5 dyne/cm
Enthalpy of Vaporization: 98.34 kJ/mol
Vapour Pressure: 6.97E-17 mmHg at 25 °C
XLogP3-AA: -1.2
H-Bond Donor: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 21
Exact Mass: 171.028006
MonoIsotopic Mass: 171.028006
Topological Polar Surface Area: 122
Heavy Atom Count: 12
Canonical SMILES: C1(=C(NC(=O)NC1=O)C(=O)O)N
InChI: InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)
InChIKey: HWCXJKLFOSBVLH-UHFFFAOYSA-N
EINECS: 230-514-2
Product Categories: Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents
Uses
5-Aminoorotic acid (CAS NO.7164-43-4) is used as pharmaceutical intermediates.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: RM3190000
Specification
5-Aminoorotic acid (CAS NO.7164-43-4) is also named as 4-Pyrimidinecarboxylic acid, 5-amino-1,2,3,6-tetrahydro-2,6-
dioxo- ; NSC 43249 ; Orothic acid, 5-amino- ; 5-Amino-2,6-dioxo-1,2,3,4-tetrahydropyrimidine-4-carboxylic acid .