Basic information
- CAS
5667-20-9- Standard SMILES
ONc1ncnc2nc[nH]c12- InChIKey
CBCQWVQNMGNYEO-UHFFFAOYSA-N- Molecular formula
- C5H5N5O
- Average molar mass
- 151.13 g/mol
- Monoisotopic mass
- 151.0494098
Overview
N(6)-hydroxyadenine is a member of the class of 6-aminopurinnes that is adenine in which one of the exocyclic amino hydrogens is replaced by a hydroxy group. It has a role as a mutagen and a teratogenic agent. It is a member of 6-aminopurines, a member of hydroxylamines and a nucleobase analogue. It is functionally related to an adenine.
Names & identifiers
- Preferred name
- 6-Hydroxyaminopurine
- IUPAC
- N-(7H-purin-6-yl)hydroxylamine
- English name
- 6-N-Hydroxylaminopurine
- Molecular formula
- C5H5N5O
- Molecular weight
- 151.13
Names & synonyms
6-N-Hydroxylaminopurine5667-20-9N-(7H-purin-6-yl)hydroxylamine6-HydroxyaminopurineN-Hydroxyadenine6-HydroxylaminopurineN-Hydroxy-1H-purin-6-amineN(6)-hydroxyaminopurineN(6)-hydroxylaminopurineRefChem:821413227-125-5N(6)-Hydroxyadenine
Show more names
AURORA KA-540n-hydroxy-adeninN6-Hydroxyadeninen-hydroxy-1h-purin-6-aminN-Hydroxy-9H-purin-6-amine
N-Hydroxy-1H-adenineADENINE, N-HYDROXY-1H-Purin-6-amine, N-hydroxy-6-HAP6-(hydroxyamino)-9H-purineHAPN-(7H-Purin-6-yl);hydroxylamineN-Hydroxy-1H-Purin-6-Amine (9CI)
Database identifiers
- CAS
5667-20-9- PubChem CID
- 21876
- DTXSID
DTXSID4044959- ChEMBL
CHEMBL393474- ChEBI
CHEBI:78235- EC Number
- 227-125-5
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 260 °C · 260 °C (decomp)
- Boiling point
- 273.11 °C · 273.11°C (rough estimate)
- Density
- 1.4456 · 1.4456 (rough estimate)
- refractive index
- 1.9 · 1.9000 (estimate)
- storage temp.
- -20 · Store at -20
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 12.2 · 12.20±0.20(Predicted)
- color
- White to Light Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2928009090 · 2928009090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H361 (95%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 2 (95%)
Safety data
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Applications
Uses6-Hydroxyaminopurine, a metabolite of Adenine is reported to be capable of inducing reversions in wild type, as well as in pso and rad6-1 mutant strains, indicating that this drug may act as a direct mutagen in yeast.
Suppliers29 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…