| CAS Number | 1019561-15-9 |
| Catalog Number | AG019Y7K |
| Chemical Name | 3-[(Prop-2-en-1-ylamino)methyl]benzonitrile |
| IUPAC Name | 3-[(prop-2-enylamino)methyl]benzonitrile |
| InChI | InChI=1S/C11H12N2/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h2-5,7,13H,1,6,9H2 |
| InChI Key | APXXCLRLVMXMRK-UHFFFAOYSA-N |
| MDL Number | MFCD11138034 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | C=CCNCC1=CC(C#N)=CC=C1 |
| Synonyms | 3-{[(prop-2-en-1-yl)amino]methyl}benzonitrile,
3-[(prop-2-en-1-ylamino)methyl]benzonitrile,
1019561-15-9,
AC1Q2AG3,
CTK5J4935,
ZINC19875776,
AKOS000224373,
MCULE-6481025356,
NE14977,
EN300-57298,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.231g/mol |
| Monoisotopic Mass | 172.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number