1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-
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Basic information
- CAS
1805-02-3- Standard SMILES
COc1ccc2c(c1)nc(N)n2C- InChIKey
BTSAWSKQHDFYIU-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.09021198
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-
- IUPAC
- 5-methoxy-1-methylbenzimidazol-2-amine
- English name
- 2-Amino-5-methoxy-1-methylbenzimidazole
- Molecular formula
- C9H11N3O
- Molecular weight
- 177.2
Names & synonyms
1805-02-31H-Benzimidazol-2-amine, 5-methoxy-1-methyl-CCRIS 43665-Methoxy-1-methyl-1H-benzimidazol-2-amine5-Methoxy-1-methyl-2-aminobenzimidazoleBRN 0152972DTXSID101709655-25-13-00096 (Beilstein Handbook Reference)RefChem:237438DTXCID70934562-Amino-5-methoxy-1-methylbenzimidazole5-methoxy-1-methylbenzimidazol-2-amine
Show more names
5-methoxy-1-methyl-benzimidazol-2-amine(5-methoxy-1-methyl-benzimidazol-2-yl)amine1H-Benzimidazol-2-amine,5-methoxy-1-methyl-(9CI)
MFCD016582965-methoxy-1-methyl-1H-1,3-benzodiazol-2-amine5-Methoxy-1-methyl-1H-benzo[d]imidazol-2-amine5-methoxy-1SCHEMBL5456024BAA80502XH0065AKOS006279559
Database identifiers
- CAS
1805-02-3- PubChem CID
- 74545
- DTXSID
DTXSID10170965- Nikkaji
- J484.326F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
LogP0.87
Physicochemical properties
- Melting point
- 222 · 222-222.5 °C (decomp)(Solv: ethanol (64-17-5); benzene (71-43-2))
- Boiling point
- 372.7 · 372.7±34.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.16 · 7.16±0.10(Predicted)
- Appearance
- Brown to dark brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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