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1 Kilogram |
Negotiable |
Pyroxamine maleate [USAN] 5560-75-8 98%
【Name】
Pyroxamine maleate [USAN]
【Iupac name】
(E)-but-2-enedioic acid;
3-[(4-chlorophenyl)-phenylmethoxy]-1-methylpyrrolidine
【CAS Registry number】
5560-75-8
【Synonyms】
Pyroxamine
【Molecular Formula】
C22H24ClNO5 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C18H20ClNO.C4H4O4/c1-20-12-11-17(13-20)21-18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15;5-3(6)1-2-4(7)8/h2-10,17-18H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
【Canonical SMILES】
CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O
【Isomers smiles】
CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
392.4°Cat760mmHg
【Flash Point】
191.1°C
【Computed Properties】
Molecular Weight:417.88266 [g/mol]
Molecular Formula:C22H24ClNO5
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:6
Exact Mass:417.134301
MonoIsotopic Mass:417.134301
Topological Polar Surface Area:87.1
Heavy Atom Count:29
Formal Charge:0
Complexity:429
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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