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205692-36-0 | 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octyloxy)-, bromide (1:1)
CAS No: 205692-36-0 Catalog No: AG002AAE MDL No:
Product Description
Catalog Number:
AG002AAE
Chemical Name:
1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octyloxy)-, bromide (1:1)
CAS Number:
205692-36-0
Molecular Formula:
C14H32BrNO2
Molecular Weight:
326.3134
IUPAC Name:
(2-hydroxy-3-octoxypropyl)-trimethylazanium;bromide
InChI:
InChI=1S/C14H32NO2.BrH/c1-5-6-7-8-9-10-11-17-13-14(16)12-15(2,3)4;/h14,16H,5-13H2,1-4H3;1H/q+1;/p-1
InChI Key:
SGLHNLCGOLHRFR-UHFFFAOYSA-M
SMILES:
CCCCCCCCOCC(C[N+](C)(C)C)O.[Br-]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.319g/mol
Monoisotopic Mass:
325.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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