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3,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline

3,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline

Systemtic Name:3,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
Openeye Name:3,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
CAS Name:3,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
IUPAC Name:3,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
Traditional Name:[3,5-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(=CC(=C2)N)CN3CCCNCCNCCCNCC3


Isomeric SMILES

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


InChI

InChI=1S/C28H55N9/c29-28-22-26(24-36-17-3-9-32-13-11-30-5-1-7-34-15-19-36)21-27(23-28)25-37-18-4-10-33-14-12-31-6-2-8-35-16-20-37/h21-23,30-35H,1-20,24-25,29H2


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