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14806-52-1 | 1-Tridecanamine, acetate (1:1)
CAS No: 14806-52-1 Catalog No: AG001FF2 MDL No:
Product Description
Catalog Number:
AG001FF2
Chemical Name:
1-Tridecanamine, acetate (1:1)
CAS Number:
14806-52-1
Molecular Formula:
C15H33NO2
Molecular Weight:
259.4280
IUPAC Name:
acetic acid;tridecan-1-amine
InChI:
InChI=1S/C13H29N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h2-14H2,1H3;1H3,(H,3,4)
InChI Key:
DTQQJBVQFYQKOZ-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCN
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.251g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.434g/mol
Monoisotopic Mass:
259.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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