| CAS Number | 74043-83-7 |
| Catalog Number | AG003DR0(AGN-PC-0U4BHP) |
| Chemical Name | 1,6,20,25-TEtraaza[6.1.6.1]paracyclophane |
| IUPAC Name | 7,12,22,27-tetrazapentacyclo[26.2.2.23,6.213,16.218,21]octatriaconta-1(30),3(38),4,6(37),13(36),14,16(35),18,20,28,31,33-dodecaene |
| InChI | InChI=1S/C34H40N4/c1-2-22-36-32-15-7-28(8-16-32)26-30-11-19-34(20-12-30)38-24-4-3-23-37-33-17-9-29(10-18-33)25-27-5-13-31(14-6-27)35-21-1/h5-20,35-38H,1-4,21-26H2 |
| InChI Key | MSPWJYMWDZWVPW-UHFFFAOYSA-N |
| MDL Number | MFCD00142567 |
| Molecular Formula | C34H40N4 |
| Molecular Weight | 504.7082 |
| SMILES | C12=CC=C(C=C2)CC3=CC=C(C=C3)NCCCCNC4=CC=C(C=C4)CC5=CC=C(C=C5)NCCCCN1 |
| Synonyms | 1,6,20,25-Tetraaza[6.1.6.1]paracyclophane,
74043-83-7,
MFCD00142567,
ZINC33791279,
N,N'-(1,4-Butanediyl)bis[(imino)(p-phenylene)(methylene)(p-phenylene)]-1,4-butanediamine,
CID5231738,
CID 5231738,
T1378,
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| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.325g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.722g/mol |
| Monoisotopic Mass | 504.325g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.6 |
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Certificate of Analysis
Lot Number