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4-{[(2Z)-3-aminobut-2-enoyl]oxy}butyl (2Z)-3-aminobut-2-enoate

4-{[(2Z)-3-aminobut-2-enoyl]oxy}butyl (2Z)-3-aminobut-2-enoate

CAS: 14205-47-1

Formula: C12H20N2O4

SMILES: CC(N)=CC(=O)OCCCCOC(=O)C=C(C)N

IUPAC: 4-{[(2Z)-3-aminobut-2-enoyl]oxy}butyl (2Z)-3-aminobut-2-enoate

InChI: InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3/b9-7-,10-8-

Composition: C (56.24%), H (7.87%), N (10.93%), O (24.97%)

Molar Mass: 256.302

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 256.142307132
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DFUXQARZEWMFLQ-XOHWUJONSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.57
Topological Polar Surface Area 104.64
Polarizability 26.2
Ring Count 0
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 14205-47-1 $21.85-$123.05$21.85$123.05
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