4-((2-Hydroxyethyl)amino)benzonitrile
Basic information
- CAS
98952-77-3- Standard SMILES
N#Cc1ccc(NCCO)cc1- InChIKey
MWBQMSRVSRVKKX-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 4-((2-Hydroxyethyl)amino)benzonitrile
- IUPAC
- 4-(2-hydroxyethylamino)benzonitrile
- English name
- 4-[(2-hydroxyethyl)amino]benzonitrile
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
4-[(2-hydroxyethyl)amino]benzonitrile98952-77-34-((2-hydroxyethyl)amino)benzonitrileRefChem:509037960-632-64-(2-hydroxyethylamino)benzonitrileNSC163449SCHEMBL1063377MWBQMSRVSRVKKX-UHFFFAOYSA-NYDA95277MFCD11153541AKOS000259913
Show more names
Benzonitrile, 4-[(2-hydroxyethyl)amino]-
AT33440NSC-163449DA-00049EN300-102534A1-11294Z196118762
Database identifiers
- CAS
98952-77-3- PubChem CID
- 294615
- EC Number
- 960-632-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- 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
Suppliers
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Related reactions
10 records
Compound notes
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