Basic information
- CAS
926-04-5- Standard SMILES
CC(C)(C)CC(N)=O- InChIKey
LINZZISWCNKFEM-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- 3,3-Dimethylbutanamide
- IUPAC
- 3,3-dimethylbutanamide
- English name
- 3,3-dimethylbutanamide
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
3,3-DimethylbutanamideDTXSID30277208RefChem:485553DTXCID80228366849-663-5926-04-5t-ButylacetamideButanamide, 3,3-dimethyl-3,3-DIMETHYLBUTYRAMIDECHEMBL170283MFCD02860385NSC1145
Show more names
3,3-dimethylbutanamide3,3-dimethylbutanamide
3,3-dimethyl-butanamide3,3-Dimethyl-butyramide3,3-Dimethylbutanamide #SCHEMBL125115SCHEMBL276947SCHEMBL1515257SCHEMBL1515547NSC-1145
Database identifiers
- CAS
926-04-5- PubChem CID
- 219625
- DTXSID
DTXSID30277208- ChEMBL
CHEMBL170283- EC Number
- 849-663-5
- Nikkaji
- J446.405B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.2
Physicochemical properties
- Melting point
- 132 · 132-132.6 °C
- Boiling point
- 223.4 · 223.4±9.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- pka
- 16.79 · 16.79±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海凯乐迪亚生物医药有限公司021-18800336901 18800336901 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
南京大宏医药科技有限公司025-58767656-1 18013906805 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
珠海奥博凯生物医药技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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