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137888-40-5 | Cyclododecanamine, acetate (1:1)
CAS No: 137888-40-5 Catalog No: AG001413 MDL No:
Product Description
Catalog Number:
AG001413
Chemical Name:
Cyclododecanamine, acetate (1:1)
CAS Number:
137888-40-5
Molecular Formula:
C14H29NO2
Molecular Weight:
243.3856
IUPAC Name:
acetic acid;cyclododecanamine
InChI:
InChI=1S/C12H25N.C2H4O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-2(3)4/h12H,1-11,13H2;1H3,(H,3,4)
InChI Key:
PNWQKGVJQOVBSY-UHFFFAOYSA-N
SMILES:
NC1CCCCCCCCCCC1.CC(=O)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.22g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.391g/mol
Monoisotopic Mass:
243.22g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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