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23635-83-8 | 1,4,7-triazacyclododecane
CAS No: 23635-83-8 Catalog No: AG002NZ7 MDL No:MFCD20661689
Product Description
Catalog Number:
AG002NZ7
Chemical Name:
1,4,7-triazacyclododecane
CAS Number:
23635-83-8
Molecular Formula:
C9H21N3
Molecular Weight:
171.2831
MDL Number:
MFCD20661689
IUPAC Name:
1,4,7-triazacyclododecane
InChI:
InChI=1S/C9H21N3/c1-2-4-10-6-8-12-9-7-11-5-3-1/h10-12H,1-9H2
InChI Key:
YGDOUVAXGKNMEN-UHFFFAOYSA-N
SMILES:
C1CCCNCCNCCNC1
Properties
Complexity:
85.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.174g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.288g/mol
Monoisotopic Mass:
171.174g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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