4-trans-[Bis(t-butyloxycarbonyl)-guanidino]cyclohexane carboxylic acid | CAS No. 1263046-44-1

4-trans-[Bis(t-butyloxycarbonyl)-guanidino]cyclohexane carboxylic acid

Basic Information

CAS Number

1263046-44-1

Molecular Formula

C18H31N3O6

Molecular Weight

385.46 g/mol

AD

Basic Physical Properties

Density

1.22±0.1 g/cm3 (20 ºC 760 Torr),

O=C(OC(C)(C)C)NC(=N[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)OC(C)(C)C C18H31N3O6

InChI

InChI=1S/C18H31N3O6/c1-17(2,3)26-15(24)20-14(21-16(25)27-18(4,5)6)19-12-9-7-11(8-10-12)13(22)23/h11-12H,7-10H2,1-6H3,(H,22,23)(H2,19,20,21,24,25)/t11-,12-

InChIKey

IQUNZZZNJUCWCG-HAQNSBGRSA-N

LogP

3.0352000000000015

Topological Polar Surface Area

126.32000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

549

Synonyms & References

English

  • (Boc)2-4-trans-gchc-oh
  • 4-trans-[Bis(t-butyloxycarbonyl)-guanidino]cyclohexane carboxylic acid
  • 4-[Bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]cyclohexane-1-carboxylic acid

MDL Number

MFCD18426559

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