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Home Carboxys 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1)

1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1)

CAS No.:
2504-11-2
Catalog Number:
AG002Q9U
Molecular Formula:
C9H18ClNO4
Molecular Weight:
239.6965
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Product Description
Catalog Number:
AG002Q9U
Chemical Name:
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
2504-11-2
Molecular Formula:
C9H18ClNO4
Molecular Weight:
239.6965
IUPAC Name:
(2-acetyloxy-3-carboxypropyl)-trimethylazanium;chloride
InChI:
InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H
InChI Key:
JATPLOXBFFRHDN-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C[N+](C)(C)C)OC(=O)C.[Cl-]
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.092g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.696g/mol
Monoisotopic Mass:
239.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties