Basic information
- CAS
1270480-82-4- Standard SMILES
CCC(N)c1ccc(C#N)c(Cl)c1- InChIKey
RSSZQIZCDMEBKX-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0610761
Names & identifiers
- Preferred name
- Benzonitrile, 4-(1-aminopropyl)-2-chloro-
- IUPAC
- 4-(1-aminopropyl)-2-chlorobenzonitrile
- English name
- 4-(1-Aminopropyl)-2-chlorobenzonitrile
- Molecular formula
- C10H11ClN2
- Molecular weight
- 194.66
Names & synonyms
Benzonitrile, 4-(1-aminopropyl)-2-chloro-DTXSID901270516AKOS0063736264-(1-Aminopropyl)-2-chlorobenzonitrile1270480-82-4
Database identifiers
- CAS
1270480-82-4- PubChem CID
- 55297828
- DTXSID
DTXSID901270516
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 322.2 · 322.2±32.0 °C(predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 8.41 · 8.41±0.10(predicted)
Chemistry & industry
Suppliers1 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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