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74676-52-1 | 1,5,9-Triazacyclotridecane trihydrobromide, 98%
CAS No: 74676-52-1 Catalog No: AG003DPO MDL No:
Product Description
Catalog Number:
AG003DPO
Chemical Name:
1,5,9-Triazacyclotridecane trihydrobromide, 98%
CAS Number:
74676-52-1
IUPAC Name:
1,5,9-triazacyclotridecane;trihydrobromide
InChI:
InChI=1S/C10H23N3.3BrH/c1-2-6-12-8-4-10-13-9-3-7-11-5-1;;;/h11-13H,1-10H2;3*1H
InChI Key:
HRDCXXGINBVBMF-UHFFFAOYSA-N
Properties
Complexity:
94.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
428.051g/mol
Monoisotopic Mass:
424.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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