| CAS Number | 1228231-35-3 |
| Catalog Number | AG00HH0P(AGN-PC-0WG3RU) |
| Chemical Name | 1H-Azepine, 3,3-difluorohexahydro-, hydrochloride (1:1) |
| IUPAC Name | 3,3-difluoroazepane;hydrochloride |
| InChI | InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-2-4-9-5-6;/h9H,1-5H2;1H |
| InChI Key | YIKNKSHWIOJGAV-UHFFFAOYSA-N |
| MDL Number | MFCD27997460 |
| Molecular Formula | C6H12ClF2N |
| Molecular Weight | 171.6160 |
| SMILES | Cl.FC1(CNCCCC1)F |
| Synonyms | 3,3-Difluoroazepane hydrochloride,
3,3-Difluoro-azepane HCl,
1228231-35-3,
3,3-DIFLUORO-AZEPANE HYDROCHLORIDE,
MFCD27997460,
CS-0036374,
F2147-8302,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.616g/mol |
| Monoisotopic Mass | 171.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number