Basic information
- CAS
49773-11-7- Standard SMILES
CCN(CC)CCOc1ccc(C#N)cc1- InChIKey
JRRGTFWXJNELCC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- 4-[2-(Diethylamino)ethoxy]benzonitrile
- IUPAC
- 4-[2-(diethylamino)ethoxy]benzonitrile
- English name
- 4-[2-(Diethylamino)ethoxy]benzonitrile
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
4-[2-(diethylamino)ethoxy]benzonitrile49773-11-74-(2-(Diethylamino)ethoxy)benzonitrileNSC372345SCHEMBL492266CHEMBL4943192DTXSID00321242JRRGTFWXJNELCC-UHFFFAOYSA-N4-(2-diethylaminoethoxy)benzonitrileAKOS000198166NSC-372345SB78983
Show more names
Benzonitrile, 4-[2-(diethylamino)ethoxy]-
CS-0244624EN300-28572G35041Z103718930
Database identifiers
- CAS
49773-11-7- PubChem CID
- 341004
- DTXSID
DTXSID00321242- ChEMBL
CHEMBL4943192
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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