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3-Amino-3-(3-chlorophenyl)propanoic acid - 95%, high purity , CAS No.68208-21-9
Basic Description
Synonyms | 3-amino-3-(3-chlorophenyl)propanoic acid | 68208-21-9 | 3-Amino-3-(3-chloro-phenyl)-propionic acid | 3-amino-3-(3-chlorophenyl)propionic acid | 3-(3-chlorophenyl)-dl-beta-alanine | MFCD00463160 | dl-beta-(3-chlorophenyl)alanine | (r)-3-(3-chlorophenyl)-beta-alanine | MFC |
Specifications & Purity | ≥95% |
Storage Temp | Room temperature |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488193386 |
IUPAC Name | 3-amino-3-(3-chlorophenyl)propanoic acid |
INCHI | InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13) |
InChi Key | LIDRHPCWOYOBIZ-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=CC(=C1)Cl)C(CC(=O)O)N |
Isomeric SMILES | C1=CC(=CC(=C1)Cl)C(CC(=O)O)N |
PubChem CID | 2764178 |
Molecular Weight | 199.6 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 199.630 g/mol |
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XLogP3 | -1.300 |
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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 | 3 |
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Exact Mass | 199.04 Da |
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Monoisotopic Mass | 199.04 Da |
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Topological Polar Surface Area | 63.300 Ų |
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Heavy Atom Count | 13 |
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Formal Charge | 0 |
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Complexity | 186.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 1 |
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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 H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. 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). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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