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Home > Pyridines > 115839-50-4
115839-50-4 | Guanidine, N-[2-(octahydropyrido[1,2-a][1,4]diazepin-2(3H)-yl)ethyl]-
CAS No: 115839-50-4 Catalog No: AG000GYE MDL No:
Product Description
Catalog Number:
AG000GYE
Chemical Name:
Guanidine, N-[2-(octahydropyrido[1,2-a][1,4]diazepin-2(3H)-yl)ethyl]-
CAS Number:
115839-50-4
Molecular Formula:
C12H25N5
Molecular Weight:
239.3604
IUPAC Name:
1-cycloundecyl-1,2-diazacycloundecane;guanidine
InChI:
InChI=1S/C20H40N2.CH5N3/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22;2-1(3)4/h20-21H,1-19H2;(H5,2,3,4)
InChI Key:
ADLSSHULVIURLO-UHFFFAOYSA-N
SMILES:
NC(=N)NCCN1CCCN2C(C1)CCCC2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.367g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
367.626g/mol
Monoisotopic Mass:
367.367g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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