| CAS Number | 1257106-39-0 |
| Catalog Number | AG00HIFT(AGN-PC-0WNGMX) |
| Chemical Name | (R)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine hydrochloride |
| IUPAC Name | (1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H9F2NO2.ClH/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7;/h2-5H,12H2,1H3;1H/t5-;/m1./s1 |
| InChI Key | DUXCNXPNMSAOOM-NUBCRITNSA-N |
| MDL Number | MFCD24418423 |
| Molecular Formula | C9H10ClF2NO2 |
| Molecular Weight | 237.6310 |
| SMILES | C[C@@H](N)C1=C2OC(F)(F)OC2=CC=C1.[H]Cl |
| Synonyms | 1257106-39-0,
(R)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine hydrochloride,
SCHEMBL3697431,
KS-00000U6Q,
MFCD24418423,
AKOS030633025,
DS-19924,
(R)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine HCl,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.631g/mol |
| Monoisotopic Mass | 237.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number