Basic information
- CAS
533-32-4- Standard SMILES
CCN(CC)C(=O)CC(C)C- InChIKey
QZMQDHNCNUGQSO-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Overview
Isovaleryl diethylamide is a fatty amide.
Names & identifiers
- Preferred name
- N,N-Diethyl-3-methylbutanamide
- IUPAC
- N,N-diethyl-3-methylbutanamide
- English name
- N,N-diethylisovaleramide
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
Isovaleryl diethylamideN,N-diethyl-3-methylbutanamide533-32-4ValylA9RAN1A34PButanamide, N,N-diethyl-3-methyl-NSC-32522DTXSID50201444RefChem:1090460DTXCID50123935208-562-0Xalyl
Show more names
N,N-diethyl-3-methyl-butanamide
N,N-DiethylisovaleramideValimylUNII-A9RAN1A34PEINECS 208-562-0N,N-DIETHYL-3-METHYLBUTYRAMIDEAI3-31410SCHEMBL77705SCHEMBL6578703
Database identifiers
- CAS
533-32-4- PubChem CID
- 68290
- DTXSID
DTXSID50201444- ChEBI
CHEBI:134787- UNII
- A9RAN1A34P
- EC Number
- 208-562-0
- Nikkaji
- J6.327D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 210 · bp 210-212°; bp14 93-95°; bp5 77-78°
- Density
- 20 · d20 0.8764
- refractive index
- 20 · nD20 1.4422
- pka
- -0.41 · -0.41±0.70(Predicted)
- FDA UNII
- 9 RAN1A34P · A9RAN1A34P
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Additional notes
DefinitionChEBI: Isovaleryl diethylamide is a fatty amide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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