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100021-79-2 | Hexadecanoic acid, compd. with 1,2-ethanediamine (1:1)
CAS No: 100021-79-2 Catalog No: AG0000B2 MDL No:
Product Description
Catalog Number:
AG0000B2
Chemical Name:
Hexadecanoic acid, compd. with 1,2-ethanediamine (1:1)
CAS Number:
100021-79-2
Molecular Formula:
C18H40N2O2
Molecular Weight:
316.5224
IUPAC Name:
2-aminoethylazanium;hexadecanoate
InChI:
InChI=1S/C16H32O2.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2-15H2,1H3,(H,17,18);1-4H2
InChI Key:
ITWATCMIPRAPEE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)O.NCCN
EC Number:
309-105-9
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.309g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.53g/mol
Monoisotopic Mass:
316.309g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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