Home Aminos dodecyl hydrogen sulfate- 1-[bis(2-hydroxypropyl)amino]propan-1-ol(1:1)

dodecyl hydrogen sulfate- 1-[bis(2-hydroxypropyl)amino]propan-1-ol(1:1)

CAS No.:
68039-27-0
Catalog Number:
AG006GE3
Molecular Formula:
C21H47NO7S
Molecular Weight:
457.6654
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Product Description
Catalog Number:
AG006GE3
Chemical Name:
dodecyl hydrogen sulfate- 1-[bis(2-hydroxypropyl)amino]propan-1-ol(1:1)
CAS Number:
68039-27-0
Molecular Formula:
C21H47NO7S
Molecular Weight:
457.6654
MDL Number:
MFCD09954620
IUPAC Name:
methyl 2-ethyl-3-oxohexanoate
InChI:
InChI=1S/C9H16O3/c1-4-6-8(10)7(5-2)9(11)12-3/h7H,4-6H2,1-3H3
InChI Key:
BCOAUCOBZITYQI-UHFFFAOYSA-N
SMILES:
CCC(N(CC(O)C)CC(O)C)O.CCCCCCCCCCCCOS(=O)(=O)O
EC Number:
268-245-8
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties