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N,N-Dipropyl-L-alanine - >98.0%(GC)(T), high purity , CAS No.81854-56-0
Basic Description
Synonyms | GZRZQYMPUHUFSQ-QMMMGPOBSA-N | N,N-Dipropyl-L-alanine, 98% | DIPROPYL-L-ALANINE | MFCD00010823 | DTXSID50558344 | AKOS015839627 | n-di-n-propyl-l-alanine | N,N-Di-n-propyl-L-alanine | N,N-Dipropyl-L-alanine | (s)-2-(dipropylamino)propanoic acid | D2224 | A |
Specifications & Purity | ≥98%(GC)(T) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (2S)-2-(dipropylamino)propanoic acid |
INCHI | InChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1 |
InChi Key | GZRZQYMPUHUFSQ-QMMMGPOBSA-N |
Canonical SMILES | CCCN(CCC)C(C)C(=O)O |
Isomeric SMILES | CCCN(CCC)[C@@H](C)C(=O)O |
PubChem CID | 14274716 |
Molecular Weight | 173.26 |
Reaxy-Rn | 15627691 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α] | 16° (C=2,MeOH) |
Melt Point(°C) | 96 °C |
Molecular Weight | 173.250 g/mol |
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XLogP3 | -0.200 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 6 |
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Exact Mass | 173.142 Da |
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Monoisotopic Mass | 173.142 Da |
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Topological Polar Surface Area | 40.500 Ų |
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Heavy Atom Count | 12 |
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Formal Charge | 0 |
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Complexity | 130.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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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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