Basic information
- CAS
13434-12-3- Standard SMILES
CC(=O)NCCC(C)C- InChIKey
XWDCLPNMPBQWCW-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Overview
N-(3-Methylbutyl)acetamide is a member of acetamides.
Names & identifiers
- Preferred name
- N-Isopentylacetamide
- IUPAC
- N-(3-methylbutyl)acetamide
- English name
- N-(3-Methylbutyl)acetamide
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
N-IsopentylacetamideN-(3-Methylbutyl)acetamide13434-12-3Acetamide, N-(3-methylbutyl)-N-IsoamylacetamideIsoamyl acetamideUNII-B07X8XNE8TB07X8XNE8TNSC 156656NSC-156656AI3-35871DTXSID10158662
Show more names
TIMTEC-BB SBB007892N-(ISO-PENTYL)ACETAMIDEN-(3-Metylbutiyl) Acetamide
RefChem:163608DTXCID8081153XWDCLPNMPBQWCW-UHFFFAOYSA-NMFCD00043542NSC156656n-3-methylbutylacetamideSCHEMBL800814orb3023440
Database identifiers
- CAS
13434-12-3- PubChem CID
- 98643
- DTXSID
DTXSID10158662- ChEBI
CHEBI:166455- UNII
- B07X8XNE8T
- Nikkaji
- J47.186K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.9
Physicochemical properties
- Melting point
- 96 · 96-98°
- Boiling point
- 232 ℃ · 232℃
- Density
- 0.895 · 0.895
- pka
- 16.55 · 16.55±0.46(Predicted)
- FDA UNII
- 7 X8XNE8T · B07X8XNE8T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
TransMIT GmbH PlantMetaChem+49-172-1024293 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
越林试剂021-62960152 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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