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Home >> Chemical Listing >> Page 2599 >> 3,5-Dimethylphenyl D-valinate

3,5-Dimethylphenyl D-valinate
[CAS# 790657-02-2]

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Identification
Name 3,5-Dimethylphenyl D-valinate
Synonyms (R)-3,5-dimethylphenyl 2-amino-3-methylbutanoate
Molecular Structure CAS#: 790657-02-2, 3,5-Dimethylphenyl D-valinate
Molecular Formula C13H19NO2
Molecular Weight 221.30
CAS Registry Number 790657-02-2
SMILES Cc1cc(cc(c1)OC(=O)[C@@H](C(C)C)N)C
InChI 1S/C13H19NO2/c1-8(2)12(14)13(15)16-11-6-9(3)5-10(4)7-11/h5-8,12H,14H2,1-4H3/t12-/m1/s1
InChIKey SFOCCFDOYFIVNE-GFCCVEGCSA-N
Properties
Density 1.036g/cm3 (Cal.)
Boiling point 320.208°C at 760 mmHg (Cal.)
Flash point 171.778°C (Cal.)
Refractive index 1.517 (Cal.)
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