3-(N-Cyanoethyl-N-hydroxyethyl)amino-4-methoxy-acetanilide
Basic information
- CAS
22588-78-9- Standard SMILES
COc1ccc(NC(C)=O)cc1N(CCO)CCC#N- InChIKey
BODCCJMIZYPXCB-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.14264148
Names & identifiers
- Preferred name
- 3-(N-Cyanoethyl-N-hydroxyethyl)amino-4-methoxy-acetanilide
- IUPAC
- N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
- English name
- N-[3-[(2-Cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
- Molecular formula
- C14H19N3O3
- Molecular weight
- 277.32
Names & synonyms
N-[3-[(2-Cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamideEINECS 245-110-1Acetamide, N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-5XGX5U7Y8RUNII-5XGX5U7Y8RN-(3-((2-Cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamide3-(N-Cyanoethyl-N-hydroxyethyl)amino-4-methoxy-acetanilideDTXSID6066810Acetamide, N-(3-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)-n-{3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamideN-[3-(2-cyanoethyl-(2-hydroxyethyl)amino)-4-methoxyphenyl]acetamideN-(3-(2-CYANOETHYL-(2-HYDROXYETHYL)AMINO)-4-METHOXYPHENYL)ACETAMIDE
Show more names
3-(N-CYANOETHYL-N-HYDROXYETHYL)-AMINO-4-METHOXYL-ACETANILIDE4'-Methoxy-3'-[(2-cyanoethyl)(2-hydroxyethyl)amino]acetanilide3-(N-2-Cyanoethyl-N-2-hydroxyethyl)amino-4-methoxy acetanilide
RefChem:198212DTXCID903672322588-78-9N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamideAcetamide,N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-SCHEMBL8743194BODCCJMIZYPXCB-UHFFFAOYSA-NAKOS015890492
Database identifiers
- CAS
22588-78-9- PubChem CID
- 89763
- DTXSID
DTXSID6066810- UNII
- 5XGX5U7Y8R
- EC Number
- 245-110-1
- Nikkaji
- J59.983B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 539.4 · 539.4±50.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 14.29 · 14.29±0.70(Predicted)
- FDA UNII
- 5 XGX5U7Y8R · 5XGX5U7Y8R
- EPA Substance Registry System
- 3 · Acetamide, N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]- (22588-78-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-: ACTIVE
Upstream & downstream products
Downstream products
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Compound notes
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