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160653-08-7 | 1-Hexadecanaminium, N,N-dibutyl-N-(2-hydroxyethyl)-, bromide (1:1)
CAS No: 160653-08-7 Catalog No: AG001S3D MDL No:
Product Description
Catalog Number:
AG001S3D
Chemical Name:
1-Hexadecanaminium, N,N-dibutyl-N-(2-hydroxyethyl)-, bromide (1:1)
CAS Number:
160653-08-7
Molecular Formula:
C26H56BrNO
Molecular Weight:
478.6329
IUPAC Name:
2-[3-(4-nitrophenyl)prop-2-enoylamino]acetic acid
InChI:
InChI=1S/C11H10N2O5/c14-10(12-7-11(15)16)6-3-8-1-4-9(5-2-8)13(17)18/h1-6H,7H2,(H,12,14)(H,15,16)
InChI Key:
RDUYZCLCAUKCDC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCO.[Br-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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