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10042-65-6 | Octadecanoic acid, compd. with 1-amino-2-propanol (1:1)
CAS No: 10042-65-6 Catalog No: AG0001YH MDL No:
Product Description
Catalog Number:
AG0001YH
Chemical Name:
Octadecanoic acid, compd. with 1-amino-2-propanol (1:1)
CAS Number:
10042-65-6
Molecular Formula:
C21H45NO3
Molecular Weight:
359.5869
IUPAC Name:
1-aminopropan-2-ol;octadecanoic acid
InChI:
InChI=1S/C18H36O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h2-17H2,1H3,(H,19,20);3,5H,2,4H2,1H3
InChI Key:
TUSQGJPKLFNBCZ-UHFFFAOYSA-N
SMILES:
NCC(O)C.CCCCCCCCCCCCCCCCCC(=O)O
EC Number:
233-127-7
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.34g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
359.595g/mol
Monoisotopic Mass:
359.34g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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