Amustaline

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Properties Simple | Detailed

Formula C22H25Cl2N3O2
IUPAC Name 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate
Molecular Mass 434.359 g·mol−1
Heat of Formation -226.4 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 503.1 Å 3
Surface Area 373.09 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(9-acridinylamino)propanoic acid 2-[bis(2-chloroethyl)amino]ethyl ester
  • 3-(acridin-9-ylamino)propionic acid 2-[bis(2-chloroethyl)amino]ethyl ester
InChIKey BDLWRIAFNYVGTC-UHFFFAOYSA-N
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Elements H C N O Cl