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88373-86-8

88373-86-8 | 1-Butanamine, N-butyl-N-[3-(phenylsulfonyl)propyl]-

CAS No: 88373-86-8 Catalog No: AG004ISY MDL No:

Product Description

Catalog Number:
AG004ISY
Chemical Name:
1-Butanamine, N-butyl-N-[3-(phenylsulfonyl)propyl]-
CAS Number:
88373-86-8
Molecular Formula:
C17H29NO2S
Molecular Weight:
311.4827
IUPAC Name:
N-[3-(benzenesulfonyl)propyl]-N-butylbutan-1-amine
InChI:
InChI=1S/C17H29NO2S/c1-3-5-13-18(14-6-4-2)15-10-16-21(19,20)17-11-8-7-9-12-17/h7-9,11-12H,3-6,10,13-16H2,1-2H3
InChI Key:
PCTIIMXAPGCPSV-UHFFFAOYSA-N
SMILES:
CCCCN(CCCC)CCCS(=O)(=O)c1ccccc1

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.192g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.484g/mol
Monoisotopic Mass:
311.192g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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