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19073-42-8 | 1,3-Propanediamine, N1-[3-(tridecyloxy)propyl]-, acetate (1:1)
CAS No: 19073-42-8 Catalog No: AG002ES2 MDL No:
Product Description
Catalog Number:
AG002ES2
Chemical Name:
1,3-Propanediamine, N1-[3-(tridecyloxy)propyl]-, acetate (1:1)
CAS Number:
19073-42-8
Molecular Formula:
C21H46N2O3
Molecular Weight:
374.6015
IUPAC Name:
acetic acid;N'-(3-tridecoxypropyl)propane-1,3-diamine
InChI:
InChI=1S/C19H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20;1-2(3)4/h21H,2-20H2,1H3;1H3,(H,3,4)
InChI Key:
HCJYZEAUURMXJQ-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCOCCCNCCCN
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.351g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
374.61g/mol
Monoisotopic Mass:
374.351g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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