Basic information
- CAS
143174-02-1- Standard SMILES
CCNc1ccc(C#N)cc1N- InChIKey
WHLUSMYQBHWGSV-UHFFFAOYSA-N- Molecular formula
- C9H11N3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.09529735
Names & identifiers
- Preferred name
- 3-Amino-4-(ethylamino)benzonitrile
- IUPAC
- 3-amino-4-(ethylamino)benzonitrile
- English name
- Benzonitrile, 3-amino-4-(ethylamino)- (9CI)
- Molecular formula
- C9H11N3
- Molecular weight
- 161.2
Names & synonyms
3-amino-4-(ethylamino)benzonitrile143174-02-1DTXSID50397235RefChem:276449DTXCID40348094846-878-6Benzonitrile, 3-amino-4-(ethylamino)- (9CI)SCHEMBL20833803-amino-4-ethylaminobenzonitrile3-amino-4-ethylamino-benzonitrileWHLUSMYQBHWGSV-UHFFFAOYSA-NTFA17402
Show more names
Benzonitrile, 3-amino-4-(ethylamino)-
MFCD00643263STK396410AKOS0036023493-amino-4-(ethylamino)benzenecarbonitrileBS-25284DB-348039CS-0213200ST50841606
Database identifiers
- CAS
143174-02-1- PubChem CID
- 3846292
- DTXSID
DTXSID50397235- EC Number
- 846-878-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 354.3 · 354.3±32.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H315-H302-H312-H335-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
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
- H332-H315-H302-H312-H335-H319
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
8 records
Compound notes
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