Basic information
- CAS
51838-01-8- Standard SMILES
CC(C)CNC(=O)CC#N- InChIKey
YCGSMOIWEZRTSG-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- 2-cyano-N-(2-methylpropyl)acetamide
- IUPAC
- 2-cyano-N-(2-methylpropyl)acetamide
- English name
- 2-CYANO-N-ISOBUTYLACETAMIDE
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
2-cyano-N-(2-methylpropyl)acetamideRefChem:470688107-650-52-cyano-N-isobutylacetamide51838-01-82-Cyano-N-isobutyl-acetamideN-isobutyl cyanoacetamideSCHEMBL615361DTXSID90404573YCGSMOIWEZRTSG-UHFFFAOYSA-NBCA83801AKOS000202503
Show more names
Acetamide, 2-cyano-N-(2-methylpropyl)-
CS-0241975EN300-24252G35083F657777Z169918906
Database identifiers
- CAS
51838-01-8- PubChem CID
- 4586567
- DTXSID
DTXSID90404573- EC Number
- 107-650-5
- Nikkaji
- J2.761.810C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
ARENA CHEMICAL[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
3 records
Compound notes
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