Acetamide, N-(5-(p-aminophenoxy)pentyl)-2-cyano-
Basic information
- CAS
101116-78-3- Standard SMILES
N#CCC(=O)NCCCCCOc1ccc(N)cc1- InChIKey
FTQZWXKZHXMWQM-UHFFFAOYSA-N- Molecular formula
- C14H19N3O2
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.14772686
Names & identifiers
- Preferred name
- Acetamide, N-(5-(p-aminophenoxy)pentyl)-2-cyano-
- IUPAC
- N-[5-(4-aminophenoxy)pentyl]-2-cyanoacetamide
- English name
- Acetamide, N-[5-(4-aminophenoxy)pentyl]-2-cyano-
- Molecular formula
- C14H19N3O2
- Molecular weight
- 261.32
Names & synonyms
101116-78-3ACETAMIDE, N-(5-(p-AMINOPHENOXY)PENTYL)-2-CYANO-M & B 4454BRN 3364429N-(5-(p-Aminophenoxy)pentyl)-2-cyanoacetamideDTXSID901437384-13-00-01035 (Beilstein Handbook Reference)RefChem:315436DTXCID7066229N-[5-(4-aminophenoxy)pentyl]-2-cyanoacetamideN-(5-(4-Aminophenoxy)pentyl)-2-cyanoacetamidestarbld0036250
Show more names
Acetamide, N-[5-(4-aminophenoxy)pentyl]-2-cyano-
orb1986654MB4454AKOS040750065T29563
Database identifiers
- CAS
101116-78-3- PubChem CID
- 58186
- DTXSID
DTXSID90143738
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 30 · 30-92 °C(Solv: ethanol (64-17-5))
- Boiling point
- 551.9 · 551.9±40.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 5 · 5+-.0.10(Predicted)
Chemistry & industry
Applications
DescriptionMB4454 is a Drug / Therapeutic Agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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