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88618-92-2 | N,N'-BIS(3-PENTYL)-ETHYLENEDIAMINE
CAS No: 88618-92-2 Catalog No: AG004CAY MDL No:
Product Description
Catalog Number:
AG004CAY
Chemical Name:
N,N'-BIS(3-PENTYL)-ETHYLENEDIAMINE
CAS Number:
88618-92-2
Molecular Formula:
C12H28N2
Molecular Weight:
200.3641
IUPAC Name:
N,N'-di(pentan-3-yl)ethane-1,2-diamine
InChI:
InChI=1S/C12H28N2/c1-5-11(6-2)13-9-10-14-12(7-3)8-4/h11-14H,5-10H2,1-4H3
InChI Key:
WCZQQMYWEQYDLG-UHFFFAOYSA-N
SMILES:
CCC(NCCNC(CC)CC)CC
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.225g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.37g/mol
Monoisotopic Mass:
200.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Structure-activity studies leading to ethambutol, a new type of antituberculous compound. | Annals of the New York Academy of Sciences 19660420 |
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