Basic information
- CAS
5705-57-7- Standard SMILES
CC(C)CNC(=O)c1ccccc1- InChIKey
ZABMXPJUCKVZSH-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- N-(2-Methylpropyl)benzamide
- IUPAC
- N-(2-methylpropyl)benzamide
- English name
- N-Isobutylbenzamide
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
N-(2-methylpropyl)benzamideBenzamide, N-isobutyl-5705-57-7DTXSID60205670RefChem:1091079DTXCID90128161N-IsobutylbenzamideBenzamide, N-(2-methylpropyl)-BRN 2045960AI3-01043NSC20564TimTec1_000754
Show more names
4-09-00-00730 (Beilstein Handbook Reference)SCHEMBL159472SCHEMBL255251SCHEMBL4626952SCHEMBL4983838SCHEMBL5618241SCHEMBL22462211SCHEMBL27773889
Database identifiers
- CAS
5705-57-7- PubChem CID
- 95140
- DTXSID
DTXSID60205670- EC Number
- 104-718-6
- Nikkaji
- J472.743F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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