2-Anilino-2-methylpropiononitrile
Basic information
- CAS
2182-38-9- Standard SMILES
CC(C)(C#N)Nc1ccccc1- InChIKey
NCTOGJVAFQWQOR-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- 2-Anilino-2-methylpropiononitrile
- IUPAC
- 2-anilino-2-methylpropanenitrile
- English name
- 2-anilino-2-methylpropiononitrile
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
2182-38-92-methyl-2-(phenylamino)propanenitrile2-anilino-2-methylpropanenitrile2-Anilino-2-methylpropiononitrileVX3T76J4THPropanenitrile, 2-methyl-2-(phenylamino)-NSC-153837DTXSID20176231EINECS 218-559-6NSC 153837RefChem:85417DTXCID4098722
Show more names
2-Methyl-2-(phenylamino)propiononitrile2-(Phenylamino)-2-methylpropiononitrile
218-559-62-Methyl-2-phenylamino-propionitrileMFCD00035943F0896-0522MLS000035683SMR000011822NSC153837UNII-VX3T76J4TH
Database identifiers
- CAS
2182-38-9- PubChem CID
- 75128
- DTXSID
DTXSID20176231- ChEMBL
CHEMBL1465369- UNII
- VX3T76J4TH
- EC Number
- 218-559-6
- Nikkaji
- J299.147K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 309.1 · 309.1±25.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.50(Predicted)
- FDA UNII
- 3 T76J4TH · VX3T76J4TH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
9 records
Compound notes
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