| CAS Number | 191608-40-9 |
| Catalog Number | AG002FDN(AGN-PC-0QKMO9) |
| Chemical Name | 2H-1-Benzopyran-4-amine, 3,4-dihydro-7-(trifluoromethyl)-, hydrochloride (1:1) |
| IUPAC Name | 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride |
| InChI | InChI=1S/C10H10F3NO.ClH/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6;/h1-2,5,8H,3-4,14H2;1H |
| InChI Key | XHGVNIMNZBUBRZ-UHFFFAOYSA-N |
| MDL Number | MFCD21603626 |
| Molecular Formula | C10H11ClF3NO |
| Molecular Weight | 253.6486 |
| SMILES | NC1CCOC2=C1C=CC(C(F)(F)F)=C2.[H]Cl |
| Synonyms | 7-(trifluoromethyl)chroman-4-amine hydrochloride,
191608-40-9,
CTK4E0756,
DTXSID70724847,
ANW-53086,
MFCD21603626,
AKOS015999736,
AX8215878,
TC-141831,
AM20030252,
FT-0702062,
ST24024466,
2H-1-Benzopyran-4-amine, 3,4-dihydro-7-(trifluoromethyl)-, hydrochloride (1:1),
7-(Trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine--hydrogen chloride (1/1),
7-(Trifluoromethyl)chroman-4-aminehydrochloride,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.649g/mol |
| Monoisotopic Mass | 253.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| 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