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155148-32-6 | 1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,4-phenylenebis(methylene)]bis-, octahydrobromide (9CI)
CAS No: 155148-32-6 Catalog No: AG001NNH MDL No:MFCD16621081
Product Description
Catalog Number:
AG001NNH
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,4-phenylenebis(methylene)]bis-, octahydrobromide (9CI)
CAS Number:
155148-32-6
Molecular Formula:
C28H62Br8N8
Molecular Weight:
1150.0775
MDL Number:
MFCD16621081
IUPAC Name:
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrobromide
InChI:
InChI=1S/C28H54N8.8BrH/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H
InChI Key:
FEYQTTMXGSTWFL-UHFFFAOYSA-N
SMILES:
C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1.Br.Br.Br.Br.Br.Br.Br.Br
UNII:
S79I522MQB
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
9
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1149.848g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
1150.092g/mol
Monoisotopic Mass:
1141.856g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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