| CAS Number | 1549879-83-5 |
| Catalog Number | AG01B8RK(AGN-PC-0WOET7) |
| Chemical Name | 2-Chloro-N-(cyclopropylmethyl)pyridin-4-amine |
| IUPAC Name | 2-chloro-N-(cyclopropylmethyl)pyridin-4-amine |
| InChI | InChI=1S/C9H11ClN2/c10-9-5-8(3-4-11-9)12-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,11,12) |
| InChI Key | OXPXWLWFXKRVOI-UHFFFAOYSA-N |
| MDL Number | MFCD23924449 |
| Molecular Formula | C9H11ClN2 |
| Molecular Weight | 182.6500 |
| SMILES | ClC1=NC=CC(NCC2CC2)=C1 |
| Synonyms | 2-chloro-N-(cyclopropylmethyl)pyridin-4-amine,
1549879-83-5,
AKOS019088673,
ZINC166313290,
(2-Chloro-pyridin-4-yl)-cyclopropylmethyl-amine,
A1-10806,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.651g/mol |
| Monoisotopic Mass | 182.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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