Basic information
- CAS
355022-21-8- Standard SMILES
CCCNc1ccc(C#N)cc1N- InChIKey
UUAJSFGUPHJSFU-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094742
Names & identifiers
- Preferred name
- 3-Amino-4-(propylamino)benzonitrile
- IUPAC
- 3-amino-4-(propylamino)benzonitrile
- English name
- 3-AMino-4-(propylaMino)benzonitrile
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23032
Names & synonyms
3-Amino-4-(propylamino)benzonitrile355022-21-8MFCD121895593-amino-4-propylamino-benzonitrileSCHEMBL1206785SCHEMBL31069432DTXSID906252813-Amino-4-propylaminobenzonitrileUUAJSFGUPHJSFU-UHFFFAOYSA-NFPA022213-Amino-4-n-propylaminobenzonitrileAKOS008131994
Show more names
BS-28357SY197160DB-410668CS-0209513EN300-85549Z425853130
Database identifiers
- CAS
355022-21-8- PubChem CID
- 22380299
- DTXSID
DTXSID90625281
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
15 records
Compound notes
Loading…