| CAS Number | 1251923-99-5 |
| Catalog Number | AG01A9TI |
| Chemical Name | 4-[(Propan-2-ylamino)methyl]benzonitrile hydrochloride |
| IUPAC Name | 4-[(propan-2-ylamino)methyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C11H14N2.ClH/c1-9(2)13-8-11-5-3-10(7-12)4-6-11;/h3-6,9,13H,8H2,1-2H3;1H |
| InChI Key | UBLRXHHMDGPUKK-UHFFFAOYSA-N |
| MDL Number | MFCD16817446 |
| Molecular Formula | C11H15ClN2 |
| Molecular Weight | 210.7032 |
| SMILES | Cl.CC(NCC1=CC=C(C#N)C=C1)C |
| Synonyms | 4-{[(propan-2-yl)amino]methyl}benzonitrile hydrochloride,
1251923-99-5,
4-[(propan-2-ylamino)methyl]benzonitrile hydrochloride,
EN300-66084,
AC1Q394G,
AKOS008064323,
MCULE-4728954495,
NE39578,
Z1262398475,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.705g/mol |
| Monoisotopic Mass | 210.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number