Basic information
- CAS
26163-88-2- Standard SMILES
CC(C)CNC(=O)c1cccc(Cl)c1- InChIKey
JAKFOVZBAWHMCQ-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Names & identifiers
- Preferred name
- 3-chloro-N-(2-methylpropyl)benzamide
- IUPAC
- 3-chloro-N-(2-methylpropyl)benzamide
- English name
- 3-Chloro-N-isobutylbenzaMide, 97%
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
3-chloro-N-(2-methylpropyl)benzamide3-Chloro-N-isobutylbenzamide26163-88-23-Chloro-N-isobutylbenzamide #SCHEMBL17847355JAKFOVZBAWHMCQ-UHFFFAOYSA-NHMS1679G13STK096858AKOS000673541ST042751Benzamide, 3-chloro-N-(2-methylpropyl)-(3-chlorophenyl)-N-(2-methylpropyl)carboxamide
Show more names
3-Chloro-N-isobutylbenzaMide, 97%
AG-690/11635712
Database identifiers
- CAS
26163-88-2- PubChem CID
- 587374
- EC Number
- 163-604-4
- Nikkaji
- J3.177.392J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 329.4 · 329.4±25.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 14.53 · 14.53±0.46(Predicted)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers3 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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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