| CAS Number | 127073-69-2 |
| Catalog Number | AG00HRMZ(AGN-PC-0N8A7P) |
| Chemical Name | 2-(Allyl(benzyl)amino)acetonitrile |
| IUPAC Name | 2-[benzyl(prop-2-enyl)amino]acetonitrile |
| InChI | InChI=1S/C12H14N2/c1-2-9-14(10-8-13)11-12-6-4-3-5-7-12/h2-7H,1,9-11H2 |
| InChI Key | JUQRUMXMODHMOH-UHFFFAOYSA-N |
| MDL Number | MFCD28991784 |
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.2530 |
| SMILES | C=CCN(CC#N)Cc1ccccc1 |
| Synonyms | 2-(Allyl(benzyl)amino)acetonitrile,
127073-69-2,
Acetonitrile, [(phenylmethyl)-2-propenylamino]-,
Benzylallylaminoacetonitrile,
[(allyl)(benzyl)amino]acetonitrile,
MFCD28991784,
ZINC39148160,
AKOS027255333,
CS-0038694,
CID10655165,
2-(benzyl-prop-2-enyl-amino)acetonitrile,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.258g/mol |
| Monoisotopic Mass | 186.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number