Basic information
- CAS
24889-95-0- Standard SMILES
COc1ccc(NCC#N)cc1- InChIKey
OWNQIZJEBGJLSW-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- ((4-Methoxyphenyl)amino)acetonitrile
- IUPAC
- 2-(4-methoxyanilino)acetonitrile
- English name
- [(4-methoxyphenyl)amino]acetonitrile
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
[(4-methoxyphenyl)amino]acetonitrile2-[(4-METHOXYPHENYL)AMINO]ACETONITRILE((4-Methoxyphenyl)amino)acetonitrileEINECS 246-517-72-((4-methoxyphenyl)amino)acetonitrileRefChem:390206246-517-724889-95-02-(4-methoxyanilino)acetonitrileNSC617261(4-Methoxyanilino)acetonitrileCHEMBL1991761
Show more names
Acetonitrile, 2-[(4-methoxyphenyl)amino]-
SCHEMBL13185886DTXSID00947784OWNQIZJEBGJLSW-UHFFFAOYSA-NZAA88995AKOS000259112NSC-617261NCI60_005180CS-0233708
Database identifiers
- CAS
24889-95-0- PubChem CID
- 90640
- DTXSID
DTXSID00947784- ChEMBL
CHEMBL1991761- EC Number
- 246-517-7
- Nikkaji
- J286.416I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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