313651-25-1

Name Hexanoic acid, 3-(aminomethyl)-4,5-dimethyl-, (3R,4R)-
CAS 313651-25-1
EINECS(EC#) 206-253-5
Molecular Formula C9H19NO2
Molecular Weight 173.25
MOL File 313651-25-1.mol
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Chemical Properties

Melting point  163-165 °C(Solv: methanol (67-56-1))
Boiling point  283.7±23.0 °C(Predicted)
density  0.981±0.06 g/cm3(Predicted)
pka 4.22±0.10(Predicted)
InChI InChI=1S/C9H19NO2/c1-6(2)7(3)8(5-10)4-9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)/t7-,8+/m1/s1
InChIKey IASDTUBNBCYCJG-SFYZADRCSA-N
SMILES C(O)(=O)C[C@@H](CN)[C@H](C)C(C)C

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