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138199-89-0

138199-89-0 | 1-Propanaminium, 3-amino-N-ethyl-N,N-dimethyl-, sulfate (2:1)

CAS No: 138199-89-0 Catalog No: AG00189A MDL No:

Product Description

Catalog Number:
AG00189A
Chemical Name:
1-Propanaminium, 3-amino-N-ethyl-N,N-dimethyl-, sulfate (2:1)
CAS Number:
138199-89-0
Molecular Formula:
C14H38N4O4S
Molecular Weight:
358.5409
IUPAC Name:
3-aminopropyl-ethyl-dimethylazanium;sulfate
InChI:
InChI=1S/2C7H19N2.H2O4S/c2*1-4-9(2,3)7-5-6-8;1-5(2,3)4/h2*4-8H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key:
QBMCCESIRBBJLN-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)[O-].NCCC[N+](CC)(C)C.NCCC[N+](CC)(C)C

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.261g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
358.542g/mol
Monoisotopic Mass:
358.261g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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