| CAS Number | 132056-23-6 |
| Catalog Number | AG00103X(AGN-PC-02JW4S) |
| Chemical Name | 3-Ethynyl-N-methylaniline |
| IUPAC Name | 3-ethynyl-N-methylaniline |
| InChI | InChI=1S/C9H9N/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7,10H,2H3 |
| InChI Key | BWBDNTYSWVIGAB-UHFFFAOYSA-N |
| MDL Number | MFCD11149823 |
| Molecular Formula | C9H9N |
| Molecular Weight | 131.1745 |
| SMILES | CNC1=CC(C#C)=CC=C1 |
| Synonyms | 3-ethynyl-N-methylaniline,
132056-23-6,
BENZENAMINE, 3-ETHYNYL-N-METHYL-,
AC1Q40WU,
SCHEMBL2892636,
CTK4B7678,
DTXSID10599773,
BWBDNTYSWVIGAB-UHFFFAOYSA-N,
MFCD11149823,
ZINC20034385,
AKOS000247959,
MCULE-3521517066,
NE29422,
EN300-68754,
Benzenamine, 3-ethynyl-N-methyl- (9CI),
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.178g/mol |
| Monoisotopic Mass | 131.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
|
8
|
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Hazard statements
|
H302-H312-H315-H318-H332-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 2735
|
Certificate of Analysis
Lot Number