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138420-78-7 | 4-Penten-1-aminium, 2,4-bis(ethoxycarbonyl)-N,N,N-trimethyl-, iodide (1:1)
CAS No: 138420-78-7 Catalog No: AG00193V MDL No:
Product Description
Catalog Number:
AG00193V
Chemical Name:
4-Penten-1-aminium, 2,4-bis(ethoxycarbonyl)-N,N,N-trimethyl-, iodide (1:1)
CAS Number:
138420-78-7
Molecular Formula:
C14H26INO4
Molecular Weight:
399.2650
IUPAC Name:
2,4-bis(ethoxycarbonyl)pent-4-enyl-trimethylazanium;iodide
InChI:
InChI=1S/C14H26NO4.HI/c1-7-18-13(16)11(3)9-12(10-15(4,5)6)14(17)19-8-2;/h12H,3,7-10H2,1-2,4-6H3;1H/q+1;/p-1
InChI Key:
BDEMHRGGNOTKEZ-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(=C)CC(C(=O)OCC)C[N+](C)(C)C.[I-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.269g/mol
Monoisotopic Mass:
399.091g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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