N-(3-diethylaminopropyl)acetamide
Basic information
- CAS
7253-72-7- Standard SMILES
CCN(CC)CCCNC(C)=O.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
DHBVNYDWQQVUDH-UHFFFAOYSA-N- Molecular formula
- C15H23N5O8
- Average molar mass
- 401.37 g/mol
- Monoisotopic mass
- 401.15466271
Names & identifiers
- Preferred name
- N-(3-diethylaminopropyl)acetamide
- IUPAC
- N-[3-(diethylamino)propyl]acetamide;2,4,6-trinitrophenol
Names & synonyms
7253-72-7NSC53947DTXSID70993379N-(3-diethylaminopropyl)acetamideNSC-53947DS-001862N-[3-(Diethylamino)propyl]ethanimidic acid--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
7253-72-7- PubChem CID
- 243781
- DTXSID
DTXSID70993379
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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