CAS 37951-53-4

1 2D Structure

CAS 37951-53-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one;hydrochloride

2.1.2 InChI

InChI=1S/C13H19NO2.ClH/c1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4;/h5-8,10H,9H2,1-4H3;1H

2.1.3 InChI Key

ZVXORNFUYLTVBM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CN(C)C)C(=O)C1=CC(=CC=C1)OC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 37951-53-4

2. 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone Hydrochloride

3. 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one;hydrochloride

4. 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone Hcl

5. Mfcd18207204

6. Schembl671151

7. Dtxsid00678783

8. Cs-m3348

9. 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-onehydrochloride

10. Akos015901709

11. Ac-26369

12. Cs-14078

13. Sy034360

14. Ft-0699884

15. 951d534

16. A852282

17. 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-propan-1-one Hydrochloride

18. 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one--hydrogen Chloride (1/1)

2.3 Create Date

2011-02-14

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀ClNO₂
Molecular Weight	257.75 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.5
Heavy Atom Count	17
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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