| CAS Number | 1807937-87-6 |
| Catalog Number | AG01BBRB |
| Chemical Name | 3-(pyridin-3-yl)prop-2-en-1-amine dihydrochloride |
| IUPAC Name | (E)-3-pyridin-4-ylprop-2-en-1-amine;dihydrochloride |
| InChI | InChI=1S/C8H10N2.2ClH/c9-5-1-2-8-3-6-10-7-4-8;;/h1-4,6-7H,5,9H2;2*1H/b2-1+;; |
| InChI Key | VVDYFPYLHLPBKA-SEPHDYHBSA-N |
| MDL Number | MFCD28968166 |
| Molecular Formula | C8H12Cl2N2 |
| Molecular Weight | 207.1003 |
| SMILES | Cl.Cl.NCC=CC1=CN=CC=C1 |
| Synonyms | (E)-3-(Pyridin-4-yl)prop-2-en-1-amine dihydrochloride,
3-(Pyridin-4-yl)prop-2-en-1-amine dihydrochloride,
1807937-87-6,
N/A,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 206.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.098g/mol |
| Monoisotopic Mass | 206.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number