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2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline

2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline

Systemtic Name:2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
Openeye Name:2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
CAS Name:2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
IUPAC Name:2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
Traditional Name:[2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]amine
Formula: C28H55N9
MolecularWeight: 517.7966
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC(=C(C=C2)CN3CCCNCCNCCCNCC3)N


Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC(=C(C=C2)CN3CCCNCCNCCCNCC3)N


InChI

InChI=1S/C28H55N9/c29-28-23-26(24-36-19-3-11-32-15-13-30-7-1-9-34-17-21-36)5-6-27(28)25-37-20-4-12-33-16-14-31-8-2-10-35-18-22-37/h5-6,23,30-35H,1-4,7-22,24-25,29H2


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