Basic information
- CAS
100800-28-0- Standard SMILES
CC(=O)NCCCCCOc1ccc(N)cc1- InChIKey
YHDVDCPJJDZPMQ-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- Acetamide, N-(5-(p-aminophenoxy)pentyl)-
- IUPAC
- N-[5-(4-aminophenoxy)pentyl]acetamide
- English name
- ACETAMIDE, N-(5-(p-AMINOPHENOXY)PENTYL)-
- Molecular formula
- C13H20N2O2
- Molecular weight
- 236.31
Names & synonyms
100800-28-0ACETAMIDE, N-(5-(p-AMINOPHENOXY)PENTYL)-N-(5-(p-Aminophenoxy)pentyl)acetamideM & B 3012BRN 3531539DTXSID601435234-13-00-01034 (Beilstein Handbook Reference)RefChem:315433DTXCID2066014N-[5-(4-aminophenoxy)pentyl]acetamideN-(5-(4-Aminophenoxy)pentyl)acetamidestarbld0012267
Show more names
Acetamide, N-[5-(4-aminophenoxy)pentyl]-
orb1986657AKOS040750062T29560
Database identifiers
- CAS
100800-28-0- PubChem CID
- 58009
- DTXSID
DTXSID60143523
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 83 · 83-85 °C
- Boiling point
- 479.5 · 479.5±25.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- pka
- 16.47 · 16.47±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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