Basic information
- CAS
1445-08-5- Standard SMILES
Cc1nc(N)c2[nH]cnc2n1- InChIKey
SMADWRYCYBUIKH-UHFFFAOYSA-N- Molecular formula
- C6H7N5
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.07014524
Names & identifiers
- Preferred name
- 2-Methyladenine
- IUPAC
- 2-methyl-7H-purin-6-amine
- English name
- 1H-Purin-6-amine, 2-methyl- (9CI)
- Molecular formula
- C6H7N5
- Molecular weight
- 149.15
Names & synonyms
2-Methyl-1H-purin-6-amine1445-08-52-Methyladenine2-Methyl-6-aminopurine1H-Purin-6-amine, 2-methyl-ADENINE, 2-METHYL-NSC-26364J5S7AW6A3CDTXSID80162731RefChem:88244DTXCID20852222-methyl-7H-purin-6-amine
Show more names
SQ-233541H-Purin-6-aMine, 2-CF3-6-Amino-2-methyl-9H-purine
2-methyl-9H-purin-6-amine9H-Purin-6-amine, 2-methyl-1H-Purin-6-amine, 2-methyl- (9CI)SQ 23354methyladenineMFCD01674065CHEMBL330897NSC 26364
Database identifiers
- CAS
1445-08-5- PubChem CID
- 15048
- DTXSID
DTXSID80162731- ChEMBL
CHEMBL330897- UNII
- J5S7AW6A3C
- Nikkaji
- J80.113E
Properties
Computed structural properties
- XLogP
- 0.2
- 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
- 300 °C · >300 °C
- Boiling point
- 248.7 · 248.7±50.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.47 · 9.47±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C6H7N5/c1-3-10-5(7)4-6(11-3)9-2-8-4/h2H,1H3,(H3,7,8,9,10,11)
- InChIKey
- SMADWRYCYBUIKH-UHFFFAOYSA-N
- SMILES
- N1C2C(=NC(C)=NC=2N)NC=1
Chemistry & industry
Suppliers34 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Related reactions
6 records
Compound notes
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