5-(4-Methoxyphenyl)-1H-imidazol-2-amine
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Basic information
- CAS
60472-20-0- Standard SMILES
COc1ccc(-c2cnc(N)[nH]2)cc1- InChIKey
LLAWLJKKTBJSEI-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-1H-imidazol-2-amine
- IUPAC
- 5-(4-methoxyphenyl)-1H-imidazol-2-amine
- English name
- 5-(4-METHOXYPHENYL)-1H-IMIDAZOL-2-AMINE
- Molecular formula
- C10H11N3O
- Molecular weight
- 189.21
Names & synonyms
5-(4-Methoxyphenyl)-1H-imidazol-2-amine60472-20-04-(4-methoxyphenyl)-1H-imidazol-2-amineMFCD07382494DTXSID005084354-(4-Methoxyphenyl)-1,3-dihydro-2h-imidazol-2-imine4-(4-methoxyphenyl)imidazole-2-ylamineSCHEMBL1853061SCHEMBL8196299CHEMBL1649776SBB019369STK788321
Show more names
1H-Imidazol-2-amine, 5-(4-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-amine(SALTDATA: FREE)
AKOS005622459AKOS006283247BS-38340DA-18664ST4147997CS-0302765EN300-265636G50507
Database identifiers
- CAS
60472-20-0- PubChem CID
- 12733697
- DTXSID
DTXSID00508435- ChEMBL
CHEMBL1649776- Nikkaji
- J2.742.277B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- form
- solid
- InChI
- 1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13)
- InChIKey
- LLAWLJKKTBJSEI-UHFFFAOYSA-N
- SMILES
- NC1=NC=C(C(C=C2)=CC=C2OC)N1
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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