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Cas Database |
| Name |
N(6)-Hydroxyadenine |
EINECS | N/A |
| CAS No. | 5667-20-9 | Density | 1.96g/cm3 |
| PSA | 86.72000 | LogP | 0.22700 |
| Solubility | N/A | Melting Point |
260 °C (decomp) |
| Formula | C5H5 N5 O | Boiling Point | 333.3°C at 760 mmHg |
| Molecular Weight | 151.128 | Flash Point | 155.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6H-Purin-6-one,1,7-dihydro-, oxime (9CI); Adenine, N-hydroxy- (7CI,8CI); Adenine, N6-hydroxy-(6CI); 6-Hydroxyaminopurine; HAP; N6-Hydroxyadenine; NSC 516286 |
Article Data | 4 |
N(6)-Hydroxyadenine Chemical Properties
Molecule structure of N(6)-Hydroxyadenine (CAS NO.5667-20-9):
IUPAC Name: N-(7H-Purin-6-yl)hydroxylamine
Molecular Weight: 151.1261 g/mol
Molecular Formula: C5H5N5O
Density: 1.843 g/cm3
Boiling Point: 590.4 °C at 760 mmHg
Flash Point: 310.8 °C
Index of Refraction: 1.939
Molar Refractivity: 39.31 cm3
Molar Volume: 81.9 cm3
Polarizability: 15.58×10-24 cm3
Surface Tension: 154.2 dyne/cm
Enthalpy of Vaporization: 92.64 kJ/mol
Vapour Pressure: 8.77E-15 mmHg at 25 °C
XLogP3: 0.1
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 12
Exact Mass: 151.04941
MonoIsotopic Mass: 151.04941
Topological Polar Surface Area: 86.7
Heavy Atom Count: 11
Complexity: 143
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)NO
InChI: InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)
InChIKey: CBCQWVQNMGNYEO-UHFFFAOYSA-N
EINECS of N(6)-Hydroxyadenine (CAS NO.5667-20-9): 227-125-5
Storage Temp.: store at -20 °C
N(6)-Hydroxyadenine Toxicity Data With Reference
| 1. | mmo-sat 100 ng/plate | MUREAV Mutation Research. 144 (1985),231. | ||
| 2. | mmo-nsc 600 mg/L | MUREAV Mutation Research. 124 (1983),61. | ||
| 3. | dnd-ham:lng 5 mg/L | MUREAV Mutation Research. 82 (1981),355. | ||
| 4. | msc-ham:emb 5 mg/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 78 (1981),5685. | ||
| 5. | ipr-rat TDLo:400 mg/kg (11D preg):TER | ARPAAQ Archives of Pathology. 86 (1968),395. | ||
| 6. | ipr-rat LD50:800 mg/kg | ARPAAQ Archives of Pathology. 86 (1968),395. |
N(6)-Hydroxyadenine Safety Profile
Moderately toxic by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
N(6)-Hydroxyadenine Specification
N(6)-Hydroxyadenine (CAS NO.5667-20-9) is also named as 6-Hydroxyaminopurine ; 6-Hydroxylaminopurine ; 6-N-Hydroxylaminopurine ; AI3-60188 ; CCRIS 2558 ; HAP ; HAP (VAN) ; N-Hydroxy-1H-purin-6-amine ; NSC 516286 ; 1H-Purin-6-amine, N-hydroxy- (9CI) ; Adenine, N-hydroxy- ; N-Hydroxy-1H-adenine .
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