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138797-39-4 | 1-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-, chloride (1:1)
CAS No: 138797-39-4 Catalog No: AG0019KX MDL No:
Product Description
Catalog Number:
AG0019KX
Chemical Name:
1-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
138797-39-4
Molecular Formula:
C38H80ClNO2
Molecular Weight:
618.5003
IUPAC Name:
2,3-dihexadecoxypropyl(trimethyl)azanium;chloride
InChI:
InChI=1S/C38H80NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-37-38(36-39(3,4)5)41-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h38H,6-37H2,1-5H3;1H/q+1;/p-1
InChI Key:
RLKJVRDMIQCNGX-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCCCCCCCCC.[Cl-]
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
617.588g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
618.513g/mol
Monoisotopic Mass:
617.588g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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