| CAS Number | 196875-71-5 |
| Catalog Number | AG019PEZ |
| Chemical Name | 2-chloro-N-(heptan-2-yl)acetamide |
| IUPAC Name | 2-chloro-N-heptan-2-ylacetamide |
| InChI | InChI=1S/C9H18ClNO/c1-3-4-5-6-8(2)11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12) |
| InChI Key | OVPAMQUUIXGWGZ-UHFFFAOYSA-N |
| MDL Number | MFCD00085729 |
| Molecular Formula | C9H18ClNO |
| Molecular Weight | 191.6983 |
| NSC Number | 54530 |
| SMILES | CCCCCC(NC(CCl)=O)C |
| Synonyms | 2-chloro-N-(heptan-2-yl)acetamide,
2-chloro-N-(1-methylhexyl)acetamide,
196875-71-5,
NSC54530,
AC1L6CWR,
AC1Q2VO1,
CTK6D6902,
2-chloro-N-heptan-2-ylacetamide,
NSC-54530,
N-(1-Methylhexyl)-2-chloroacetamide,
AKOS001173930,
AKOS016893499,
MCULE-2837806752,
NE30319,
UPCMLD0ENAT5483176:001,
EN300-23399,
CID244074,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.699g/mol |
| Monoisotopic Mass | 191.108g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number