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115839-49-1 | Guanidine, N-[2-(hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl)ethyl]-
CAS No: 115839-49-1 Catalog No: AG000GYF MDL No:
Product Description
Catalog Number:
AG000GYF
Chemical Name:
Guanidine, N-[2-(hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl)ethyl]-
CAS Number:
115839-49-1
Molecular Formula:
C11H23N5
Molecular Weight:
225.3338
IUPAC Name:
1-cyclodecyldiazecane;guanidine
InChI:
InChI=1S/C18H36N2.CH5N3/c1-2-6-10-14-18(15-11-7-3-1)20-17-13-9-5-4-8-12-16-19-20;2-1(3)4/h18-19H,1-17H2;(H5,2,3,4)
InChI Key:
DUWSMSCXCQTTEJ-UHFFFAOYSA-N
SMILES:
NC(=N)NCCN1CCCN2C(C1)CCC2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.336g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
339.572g/mol
Monoisotopic Mass:
339.336g/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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