| CAS Number | 210963-17-0 |
| Catalog Number | AG002L2P(AGN-PC-0WD6F8) |
| Chemical Name | 3-(3-aminopropoxy)benzonitrile hydrochloride |
| IUPAC Name | 3-(3-aminopropoxy)benzonitrile;hydrochloride |
| InChI | InChI=1S/C10H12N2O.ClH/c11-5-2-6-13-10-4-1-3-9(7-10)8-12;/h1,3-4,7H,2,5-6,11H2;1H |
| InChI Key | DZZWMMIGQBJYBL-UHFFFAOYSA-N |
| MDL Number | MFCD28101765 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | NCCCOc1cccc(c1)C#N.Cl |
| Synonyms | 3-(3-Aminopropoxy)benzonitrile hydrochloride,
210963-17-0,
SCHEMBL3903275,
CS-W000323,
ST2404725,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number