Basic information
- Standard SMILES
COc1ncnc2nc[nH]c12- InChIKey
GOILPRCCOREWQE-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416081
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Methoxy-9H-purine
- IUPAC
- 6-methoxy-7H-purine
- English name
- 6-Methoxypurine
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
6-Methoxypurine6-Methoxy-9H-purine1074-89-1DTXSID90148041RefChem:104958DTXCID4070532214-047-16-methoxy-7H-purine1H-Purine, 6-methoxy-Purine, 6-methoxy-O-MethylhypoxanthineMFCD00127913
Show more names
CHLOROPURINE, 6-AKOS BBS-000021436-CHLORO-9H-PURINE6-Methoxypurine>6-Methoxy-1H-purineTIMTEC-BB SBB0040306-METHOXYPURINE 99+%Xanthine Impurity 51
6-Methoxy-1H-purine #SCHEMBL284829CHEMBL305107Cl-917MFCD00005574AKOS003621274SY050762SZL
Database identifiers
- CAS
1074-89-1- PubChem CID
- 70632
- DTXSID
DTXSID90148041- ChEMBL
CHEMBL305107- EC Number
- 214-047-1
- Nikkaji
- J100.006C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 300 °C · >300 °C (dec.)(lit.)
- Boiling point
- 271.66 °C · 271.66°C (rough estimate)
- Density
- 1.3471 · 1.3471 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- crystalline
- color
- yellow-orange
- BRN
- 7692 · 7692
- CAS DataBase Reference
- 1074 · 1074-89-1(CAS DataBase Reference)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 7520000 · UO7520000
- F
- 10 · 10-23
- Hazard Note
- Irritant
- HS Code
- 29335995 · 29335995
Safety & regulation
Safety data
- F
- 10-23
- wgk
- 3
- rtecs
- UO7520000
- hs_code
- 29335995
- risk_code
- 22
- hazard_code
- Xn
- hazard_note
- Irritant
- safety_code
- 26-36
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
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Related reactions
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