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87998-18-3 | 3,6,9,12-Tetraazatetradecane-1,14-diamine, 3-(2-aminoethyl)-
CAS No: 87998-18-3 Catalog No: AG004KIF MDL No:
Product Description
Catalog Number:
AG004KIF
Chemical Name:
3,6,9,12-Tetraazatetradecane-1,14-diamine, 3-(2-aminoethyl)-
CAS Number:
87998-18-3
Molecular Formula:
C12H33N7
Molecular Weight:
275.4373
IUPAC Name:
N'-[2-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
InChI:
InChI=1S/C12H33N7/c13-1-4-16-5-6-17-7-8-18-9-12-19(10-2-14)11-3-15/h16-18H,1-15H2
InChI Key:
BGNAJPKLESBOPL-UHFFFAOYSA-N
SMILES:
NCCNCCNCCNCCN(CCN)CCN
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.28g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
275.445g/mol
Monoisotopic Mass:
275.28g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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