909725-61-7

Name [(3R)-3-aMino-4-[(3-hexylphenyl)aMino]-4-oxobutyl]-phosphonic acid
CAS 909725-61-7
Molecular Formula C16H27N2O4P
MDL Number MFCD16875441
Molecular Weight 342.37
MOL File 909725-61-7.mol
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Chemical Properties

density  1.233±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  methanol: soluble (with 0.1% TFA)
form  powder
pka 2.19±0.10(Predicted)
color  off-white
InChI 1S/C16H27N2O4P.H2O/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22;/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22);1H2/t15-;/m1./s1
InChIKey DQKSZHVSROOTFY-XFULWGLBSA-N
SMILES O.CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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