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138048-42-7 | 1-Propanamine, 3-(octadecadienyloxy)- (9CI)
CAS No: 138048-42-7 Catalog No: AG0017WH MDL No:
Product Description
Catalog Number:
AG0017WH
Chemical Name:
1-Propanamine, 3-(octadecadienyloxy)- (9CI)
CAS Number:
138048-42-7
Molecular Formula:
C21H41NO
Molecular Weight:
323.5563
IUPAC Name:
3-octadeca-1,3-dienoxypropan-1-amine
InChI:
InChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h15-17,20H,2-14,18-19,21-22H2,1H3
InChI Key:
PUGKDVGWILVHOT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC=CC=COCCCN
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.319g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.565g/mol
Monoisotopic Mass:
323.319g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8
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