79640-70-3

Name Methotrexate α-tert-Butyl Ester
CAS 79640-70-3
Molecular Formula C24H30N8O5
MDL Number MFCD32868559
Molecular Weight 510.55
MOL File 79640-70-3.mol
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Chemical Properties

Melting point  >211°C (dec.)
density  1.377±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka 4.43±0.10(Predicted)
color  Pale Yellow to Orange
InChIKey HTMMDBDGHQUHPW-INIZCTEOSA-N
SMILES NC1=NC(=NC2N=CC(=NC=21)CN(C1C=CC(=CC=1)C(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)C)N

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