4-Iodoisoquinolin-1-amine
Basic information
- CAS
55270-28-5- Standard SMILES
Nc1ncc(I)c2ccccc12- InChIKey
JEXQHFHWSRCHPV-UHFFFAOYSA-N- Molecular formula
- C9H7IN2
- Average molar mass
- 270.07 g/mol
- Monoisotopic mass
- 269.9654
Names & identifiers
- Preferred name
- 4-Iodoisoquinolin-1-amine
- IUPAC
- 4-iodoisoquinolin-1-amine
- English name
- 4-iodoisoquinolin-1-amine
- Molecular formula
- C9H7IN2
- Molecular weight
- 270.07
Names & synonyms
4-iodoisoquinolin-1-amine55270-28-51-isoquinolinamine, 4-iodo-DTXSID90348842RefChem:293574DTXCID20299914InChI=1/C9H7IN2/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H,(H2,11,12MFCD036958271-Amino-4-iodoisoquinolineSCHEMBL20593916AKOS024262676DS-9617
Show more names
4-Iodo-1-isoquinolinamine4-iodo-isoquinolin-1-ylamine
CS-0041265BCP05767AM8077664-iodo-1-isoquinolinylamineA851448SCHEMBL31636456SY116456DB-349404
Database identifiers
- CAS
55270-28-5- PubChem CID
- 640984
- DTXSID
DTXSID90348842
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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