Basic information
- CAS
64075-37-2- Standard SMILES
CCCCCC(=O)NCC(C)C- InChIKey
GALBASZQDFWTEP-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- N-(2-Methylpropyl)hexanimidic acid
- IUPAC
- N-(2-methylpropyl)hexanamide
Names & synonyms
DTXSID80982572N-(2-Methylpropyl)hexanimidic acidRefChem:1091081DTXCID101409834n-(2-methylpropyl)hexanamideHexanamide, N-isobutyl64075-37-2N-IsobutylhexanamideNSC44161N-i-butyl caproamideSCHEMBL5208972SCHEMBL9462479
Show more names
CHEMBL3601381GALBASZQDFWTEP-UHFFFAOYSA-NNSC-44161AKOS003850712
Database identifiers
- CAS
64075-37-2- PubChem CID
- 239248
- DTXSID
DTXSID80982572- ChEMBL
CHEMBL3601381- EC Number
- 139-066-1
- Nikkaji
- J689.190J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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