| CAS Number | 15295-69-9 |
| Catalog Number | AG003N87(AGN-PC-00FRXS) |
| Chemical Name | 6-heptynenitrile |
| IUPAC Name | hept-6-ynenitrile |
| InChI | InChI=1S/C7H9N/c1-2-3-4-5-6-7-8/h1H,3-6H2 |
| InChI Key | BIGRRVLEKCQFHS-UHFFFAOYSA-N |
| MDL Number | MFCD10000960 |
| Molecular Formula | C7H9N |
| Molecular Weight | 107.1531 |
| SMILES | C#CCCCCC#N |
| Synonyms | 6-Heptynenitrile,
6-Cyano-1-hexyne,
15295-69-9,
Hept-6-ynenitrile,
ACMC-1BNJO,
SCHEMBL5879269,
CTK0H1962,
DTXSID10472012,
BIGRRVLEKCQFHS-UHFFFAOYSA-N,
ANW-21423,
MFCD10000960,
ZINC36419578,
AKOS022504359,
TC-110168,
I14-57225,
CID11768526,
H1214,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 107.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 107.156g/mol |
| Monoisotopic Mass | 107.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H315-H319-H227
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P403+P235-P405
|
|
UN Code
|
UN 3276
|
Certificate of Analysis
Lot Number