| CAS Number | 40154-80-1 |
| Catalog Number | AG00CMXN(AGN-PC-0WOS9H) |
| Chemical Name | (1S)-1-(pyridin-4-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | (1S)-1-pyridin-4-ylethanamine;dihydrochloride |
| InChI | InChI=1S/C7H10N2.2ClH/c1-6(8)7-2-4-9-5-3-7;;/h2-6H,8H2,1H3;2*1H/t6-;;/m0../s1 |
| InChI Key | JDRXYBFUHCUEFT-ILKKLZGPSA-N |
| MDL Number | MFCD22565963 |
| Molecular Formula | C7H12Cl2N2 |
| Molecular Weight | 195.0896 |
| SMILES | N[C@H](C1=CC=NC=C1)C.[H]Cl.[H]Cl |
| Synonyms | (1S)-1-(pyridin-4-yl)ethan-1-amine dihydrochloride,
40154-80-1,
SCHEMBL6432778,
KS-000026ER,
(1S)-1-(4-pyridyl)ethanamine hcl,
MFCD22565963,
AKOS026742303,
GS-7252,
MCULE-4487399503,
NE40883,
(S)-1-(4-Pyridinyl)ethylamine dihydrochloride,
Z1492781304,
(1S)-1-(PYRIDIN-4-YL)ETHAN-1-AMINE DIHYDROCHLRIDE,
1-(Pyridin-4-yl)ethanamine dihydrochloride,
(S)-1-(Pyridin-4-yl)ethanamine dihydrochloride,
27854-96-2,
|
| Complexity | 77 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.087g/mol |
| Monoisotopic Mass | 194.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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