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(1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid - 97%, high purity , CAS No.171754-03-3
Basic Description
Synonyms | P19062 | 2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, (1S,3R,4R)- | AS-70355 | MFCD19217986 | CS-0053563 | PB35844 | (1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carboxylic | AKOS025405445 | (1S,3R,4R)-2-Azabicyclo[2.2.1]-heptane-3-carboxylic acid | (1S,3R,4R |
Specifications & Purity | ≥97% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | (1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
INCHI | InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(3-4)8-6/h4-6,8H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1 |
InChi Key | BMVVXSIHLQYXJJ-NGJCXOISSA-N |
Canonical SMILES | C1CC2CC1C(N2)C(=O)O |
Isomeric SMILES | C1C[C@H]2C[C@@H]1[C@@H](N2)C(=O)O |
Alternate CAS | 171754-03-3 |
PubChem CID | 11885574 |
Molecular Weight | 141.17 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 141.170 g/mol |
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XLogP3 | -1.900 |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 1 |
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Exact Mass | 141.079 Da |
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Monoisotopic Mass | 141.079 Da |
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Topological Polar Surface Area | 49.300 Ų |
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Heavy Atom Count | 10 |
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Formal Charge | 0 |
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Complexity | 169.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 3 |
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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 | Danger |
Hazard Statements | H302:Harmful if swallowed H318:Causes serious eye damage |
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. P310:Immediately call a POISON CENTER or doctor/physician. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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