8-Bromo-9-methyladenine
Basic information
- CAS
56489-40-8- Standard SMILES
Cn1c(Br)nc2c(N)ncnc21- InChIKey
ICJDGKILGBQWGF-UHFFFAOYSA-N- Molecular formula
- C6H6BrN5
- Average molar mass
- 228.05 g/mol
- Monoisotopic mass
- 226.98066
Overview
structure in first source
Names & identifiers
- Preferred name
- 8-Bromo-9-methyladenine
- IUPAC
- 8-bromo-9-methylpurin-6-amine
Names & synonyms
8-bromo-9-methyladenineRefChem:5478328-Bromo-9-methyl-9H-purin-6-amine56489-40-88-Bromo-9-methyl-9H-adenine8-bromo-9-methylpurin-6-amineCHEMBL5102888-bromo-9-methyl-9H-purin-6-ylamineOprea1_555380AB-323/13887509SCHEMBL8832637SCHEMBL29439771
Show more names
DTXSID90356366ICJDGKILGBQWGF-UHFFFAOYSA-NBDBM50256842PD183284
Database identifiers
- CAS
56489-40-8- PubChem CID
- 822296
- DTXSID
DTXSID90356366- ChEMBL
CHEMBL510288- EC Number
- 100-440-4
- Nikkaji
- J1.265.376J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
1 records
Compound notes
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