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87729-01-9 | 1H-Phospholium, 1,1-bis(diethylamino)-2,5-dihydro-3-methyl-
CAS No: 87729-01-9 Catalog No: AG004JAA MDL No:
Product Description
Catalog Number:
AG004JAA
Chemical Name:
1H-Phospholium, 1,1-bis(diethylamino)-2,5-dihydro-3-methyl-
CAS Number:
87729-01-9
Molecular Formula:
C13H28N2P+
Molecular Weight:
243.3486
IUPAC Name:
1-N,1-N,1-N',1-N'-tetraethyl-3-methyl-2,5-dihydrophosphol-1-ium-1,1-diamine
InChI:
InChI=1S/C13H28N2P/c1-6-14(7-2)16(15(8-3)9-4)11-10-13(5)12-16/h10H,6-9,11-12H2,1-5H3/q+1
InChI Key:
JCYPYTLPPLPQMD-UHFFFAOYSA-N
SMILES:
CCN([P+]1(CC=C(C1)C)N(CC)CC)CC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.199g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.355g/mol
Monoisotopic Mass:
243.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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