Basic information
- CAS
22387-37-7- Standard SMILES
Cc1nc2ncnc(N)c2[nH]1- InChIKey
ORUIZIXJCCIGAI-UHFFFAOYSA-N- Molecular formula
- C6H7N5
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.07014524
Names & identifiers
- Preferred name
- 8-Methyladenine
- IUPAC
- 8-methyl-7H-purin-6-amine
- English name
- 1H-Purin-6-amine, 8-methyl- (9CI)
- Molecular formula
- C6H7N5
- Molecular weight
- 149.15
Names & synonyms
22387-37-78-MethyladenineDTXSID00176916RefChem:914618DTXCID40994078-methyl-7H-purin-6-amine1H-Purin-6-amine, 8-methyl- (9CI)8-Methyl-9H-purin-6-amineMFCD19237006CHEMBL626471H-Purin-6-amine, 8-methyl-8-Methyl-adenine
Show more names
8-Methyl-1H-purin-6-amine6-Amino-8-methyl-9H-purine9H-Purin-6-amine, 8-methyl-
NSC 22744SCHEMBL9530096-Amino-8-methyl-7H-purineSCHEMBL1059581SCHEMBL4351099SCHEMBL5049640SCHEMBL30109321NSC22744
Database identifiers
- CAS
22387-37-7- PubChem CID
- 95187
- DTXSID
DTXSID00176916- ChEMBL
CHEMBL62647- Nikkaji
- J83.179D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 335 °C · 335 °C (decomp)
- Boiling point
- 248.7 · 248.7±50.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.86 · 9.86±0.20(Predicted)
- Appearance
- Brown to dark brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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