2-Amino-4-cyclopropylbenzonitrile
Basic information
- CAS
1434127-51-1- Standard SMILES
N#Cc1ccc(C2CC2)cc1N- InChIKey
GRCSEKWOVQOXSA-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- 2-Amino-4-cyclopropylbenzonitrile
- IUPAC
- 2-amino-4-cyclopropylbenzonitrile
- English name
- 2-Amino-4-(cyclopropyl)benzonitrile
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
2-Amino-4-cyclopropylbenzonitrile1434127-51-1MFCD24449768SCHEMBL261249382-amino-4-cyclopropyl-benzonitrileAC9178AKOS037648734BS-15404SY264118CS-01631242-Amino-4-(cyclopropyl)benzonitrileBenzonitrile, 2-amino-4-cyclopropyl-
Database identifiers
- CAS
1434127-51-1- PubChem CID
- 130067655
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 335.3 · 335.3±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.84 · 1.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-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+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…