4-(1-hydroxy-2-{[1-...

4-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)benzene-1,2-diol 5396-77-0

4-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)benzene-1,2-diol 5396-77-0

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Keywords

Protocatechuyl alcohol, .alpha.-[1-(p-methoxyphenyl)-2-propylaminomethyl]-, hydrochloride 5396-77-0 C18H23NO4

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
4-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)benzene-1,2-diol
【Iupac name】
4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]benzene-1,
2-diol hydrochloride
【CAS Registry number】
5396-77-0
【Synonyms】
NSC4356
NSC-4356
Protocatechuyl alcohol, hydrochloride
1, 4-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]-, hydrochloride
5396-77-0
【Molecular Formula】
C18H23NO4 (Products with the same molecular formula)
【Molecular Weight】
317.3795
【Inchi】
InChI=1/C18H23NO4/c1-12(9-13-3-6-15(23-2)7-4-13)19-11-18(22)14-5-8-16(20)17(21)10-14/h3-8,10,12,18-22H,9,11H2,1-2H3
【Canonical SMILES】
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)O)O.Cl
【MOL File】
5396-77-0.mol
Chemical and Physical Properties
【Density】
1.217g/cm3
【Boiling Point】
541.7°C at 760 mmHg
【Refractive Index】
1.604
【Flash Point】
281.4°C
【Computed Properties】
Molecular Weight:353.84046 [g/mol]
Molecular Formula:C18H24ClNO4
H-Bond Donor:5
H-Bond Acceptor:5
Rotatable Bond Count:7
Tautomer Count:10
Exact Mass:353.139386
MonoIsotopic Mass:353.139386
Topological Polar Surface Area:82
Heavy Atom Count:24
Formal Charge:0
Complexity:333
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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