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2-dimethylaminoethyl 4-methoxybenzoate 5446-69-5 98%
【Name】
2-(dimethylamino)ethyl 4-methoxybenzoate
【CAS Registry number】
5446-69-5
【Synonyms】
4-Methoxy-benzoic acid 2-dimethylamino-ethyl ester
【Molecular Formula】
C12H17NO3 (Products with the same molecular formula)
【Molecular Weight】
223.2683
【Inchi】
InChI=1/C12H17NO3/c1-13(2)8-9-16-12(14)10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3
【Canonical SMILES】
CN(C)CCOC(=O)C1=CC=C(C=C1)OC.[Cl-]
【Isomers smiles】
CN(C)CCOC(=O)C1=CC=C(C=C1)OC.[Cl-]
【MOL File】
5446-69-5.mol
Chemical and Physical Properties
【Density】
1.072g/cm3
【Boiling Point】
320.6°C at 760 mmHg
【Refractive Index】
1.51
【Flash Point】
147.7°C
【Computed Properties】
Molecular Weight:258.72128 [g/mol]
Molecular Formula:C12H17ClNO3-
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:6
Exact Mass:258.089696
MonoIsotopic Mass:258.089696
Topological Polar Surface Area:38.8
Heavy Atom Count:17
Formal Charge:-1
Complexity:210
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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