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benzyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate - 97%, high purity , CAS No.1821811-10-2
Basic Description
Synonyms | (3R,4R)-Benzyl4-amino-3-fluoropiperidine-1-carboxylate | P17874 | 1268520-05-3 | CS-0058653 | P15449 | A889348 | (3R,4R)-rel-Benzyl 4-amino-3-fluoropiperidine-1-carboxylate | AKOS025290887 | MFCD18632650 | (3R,4R)-Benzyl 4-amino-3-fluoropiperidine-1-carbo |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | benzyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate |
INCHI | InChI=1S/C13H17FN2O2/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2/t11-,12-/m1/s1 |
InChi Key | SYVUWEZGXXHYPH-VXGBXAGGSA-N |
Canonical SMILES | C1CN(CC(C1N)F)C(=O)OCC2=CC=CC=C2 |
Isomeric SMILES | C1CN(C[C@H]([C@@H]1N)F)C(=O)OCC2=CC=CC=C2 |
Alternate CAS | 1268520-05-3 |
PubChem CID | 91663845 |
Molecular Weight | 252.29 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 252.280 g/mol |
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XLogP3 | 1.300 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 3 |
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Exact Mass | 252.127 Da |
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Monoisotopic Mass | 252.127 Da |
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Topological Polar Surface Area | 55.600 Ų |
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Heavy Atom Count | 18 |
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Formal Charge | 0 |
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Complexity | 282.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 2 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H302:Harmful if swallowed |
Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P362:Take off contaminated clothing. P270:Do not eat, drink or smoke when using this product. P337+P313:IF eye irritation persists: Get medical advice/attention. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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