| CAS Number | 55897-65-9 |
| Catalog Number | AG003FBQ(AGN-PC-0KWP8E) |
| Chemical Name | 2,2-DImethylhexanenitrile |
| IUPAC Name | 2,2-dimethylhexanenitrile |
| InChI | InChI=1S/C8H15N/c1-4-5-6-8(2,3)7-9/h4-6H2,1-3H3 |
| InChI Key | LXVMQKREAPQFPN-UHFFFAOYSA-N |
| MDL Number | MFCD21196955 |
| Molecular Formula | C8H15N |
| Molecular Weight | 125.2114 |
| SMILES | CCCCC(C#N)(C)C |
| Synonyms | 2,2-dimethylhexanenitrile,
55897-65-9,
ACMC-20aojl,
2,2-dimethylcapronitrile,
AC1MTCW3,
Hexanenitrile, 2,2-dimethyl-,
SCHEMBL6920148,
CTK1F5676,
DTXSID30393775,
LXVMQKREAPQFPN-UHFFFAOYSA-N,
MFCD21196955,
ZINC33687867,
AKOS014711958,
TC-171480,
D4166,
F8883-9502,
CID3573562,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.215g/mol |
| Monoisotopic Mass | 125.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H302+H312+H332-H315-H319-H226
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P235
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number