CAS 35205-54-0

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CHEMISTRY

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Chemistry

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Also known as: 1-phenoxypropan-2-amine, 35205-54-0, 1-phenoxy-2-propanamine, 1-methyl-2-phenoxy-ethylamine, 2-phenoxyisopropylamine, 2-propanamine, 1-phenoxy-

Molecular Formula

C₉H₁₃NO

Molecular Weight

151.21 g/mol

InChI Key

IKYFHRVPKIFGMH-UHFFFAOYSA-N

1 2D Structure

CAS 35205-54-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-phenoxypropan-2-amine

2.1.2 InChI

InChI=1S/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

2.1.3 InChI Key

IKYFHRVPKIFGMH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(COC1=CC=CC=C1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-phenoxypropan-2-amine

2. 35205-54-0

3. 1-phenoxy-2-propanamine

4. 1-methyl-2-phenoxy-ethylamine

5. 2-phenoxyisopropylamine

6. 2-propanamine, 1-phenoxy-

7. 1-phenoxy-2-propylamine

8. Ethylamine, 1-methyl-2-phenoxy-

9. C 1926

10. Nsc 137777

11. Einecs 252-434-7

12. Brn 2045304

13. (1-methyl-2-phenoxyethyl)amine

14. Phenoxyisopropylamine

15. 1-phenoxypropane-2-amine

16. 2-amino-1-phenoxypropane

17. 2-phenoxy-1-methylethylamine

18. 4-06-00-00669 (beilstein Handbook Reference)

19. Schembl366154

20. 1-methyl-2-phenoxyethyl Amine

21. Ethylamine, Methyl-2-phenoxy-

22. Chembl162135

23. Dtxsid301313534

24. .alpha.-methyl-2-phenoxyethanamine

25. Albb-027081

26. Mfcd00008083

27. Nsc137777

28. Akos000302300

29. Akos016042140

30. Nsc-137777

31. Sb76412

32. Ls-09259

33. Bb 0255191

34. Cs-0433311

35. Ft-0678798

36. N12753

37. Ab01007136-01

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₃NO
Molecular Weight	151.21 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.2
Heavy Atom Count	11
Formal Charge	0
Complexity	99.7
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	1