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19097-98-4 | Guanidine, N-decyl-, acetate (1:1)
CAS No: 19097-98-4 Catalog No: AG002EYV MDL No:
Product Description
Catalog Number:
AG002EYV
Chemical Name:
Guanidine, N-decyl-, acetate (1:1)
CAS Number:
19097-98-4
Molecular Formula:
C13H29N3O2
Molecular Weight:
259.3883
IUPAC Name:
acetic acid;2-decylguanidine
InChI:
InChI=1S/C11H25N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13;1-2(3)4/h2-10H2,1H3,(H4,12,13,14);1H3,(H,3,4)
InChI Key:
ODNUZAZTUMVHMC-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCNC(=N)N
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.226g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.394g/mol
Monoisotopic Mass:
259.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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