| CAS Number | 848813-81-0 |
| Catalog Number | AG00GLT8(AGN-PC-0WD42B) |
| Chemical Name | (3-(Piperidin-1-ylsulfonyl)phenyl)methanamine |
| IUPAC Name | (3-piperidin-1-ylsulfonylphenyl)methanamine |
| InChI | InChI=1S/C12H18N2O2S/c13-10-11-5-4-6-12(9-11)17(15,16)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2 |
| InChI Key | CHDVLTXVOJUOJL-UHFFFAOYSA-N |
| MDL Number | MFCD09736168 |
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.3485 |
| SMILES | NCC1=CC(S(N2CCCCC2)(=O)=O)=CC=C1 |
| Synonyms | 848813-81-0,
(3-(Piperidin-1-ylsulfonyl)phenyl)methanamine,
[3-(piperidine-1-sulfonyl)phenyl]methanamine,
AC1Q53U2,
CTK7E5824,
DTXSID20588532,
ZINC22214768,
3-(Piperidine-1-sulfonyl)benzylamine,
AKOS000144005,
MCULE-8526619651,
NE26131,
AJ-81311,
(3-piperidin-1-ylsulfonylphenyl)methanamine,
EN300-64067,
1-[3-(Piperidine-1-sulfonyl)phenyl]methanamine,
1-[3-(PIPERIDIN-1-YLSULFONYL)PHENYL]METHANAMINE,
Z1262254165,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.348g/mol |
| Monoisotopic Mass | 254.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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