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83623-26-1 | 1-Propanaminium,N-(carboxymethyl)-N,N-dimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)amino]-, innersalt
CAS No: 83623-26-1 Catalog No: AG004YVF MDL No:
Product Description
Catalog Number:
AG004YVF
Chemical Name:
1-Propanaminium,N-(carboxymethyl)-N,N-dimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)amino]-, innersalt
CAS Number:
83623-26-1
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
IUPAC Name:
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydroxide
InChI:
InChI=1S/C11H20N2O3.H2O/c1-9(2)11(16)12-6-5-7-13(3,4)8-10(14)15;/h1,5-8H2,2-4H3,(H-,12,14,15,16);1H2
InChI Key:
ULQOAAQWNDVVDP-UHFFFAOYSA-N
SMILES:
OC(=O)C[N+](CCCNC(=O)C(=C)C)(C)C.[OH-]
EC Number:
280-509-4
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.307g/mol
Monoisotopic Mass:
246.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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