CAS 102-97-6

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Also known as: 102-97-6, N-benzylisopropylamine, N-benzylpropan-2-amine, N-benzyl-n-isopropylamine, Isopropylbenzylamine, Benzenemethanamine, n-(1-methylethyl)-

Molecular Formula

C₁₀H₁₅N

Molecular Weight

149.23 g/mol

InChI Key

LYBKPDDZTNUNNM-UHFFFAOYSA-N

FDA UNII

67SYC92FNS

1 2D Structure

CAS 102-97-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzylpropan-2-amine

2.1.2 InChI

InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

2.1.3 InChI Key

LYBKPDDZTNUNNM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)NCC1=CC=CC=C1

2.2 Other Identifiers

2.2.1 UNII

67SYC92FNS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-benzyl-n-isopropylamine

2. N-benzylisopropylamine

2.3.2 Depositor-Supplied Synonyms

1. 102-97-6

2. N-benzylisopropylamine

3. N-benzylpropan-2-amine

4. N-benzyl-n-isopropylamine

5. Isopropylbenzylamine

6. Benzenemethanamine, N-(1-methylethyl)-

7. Benzylisopropylamine

8. Benzylamine, N-isopropyl-

9. N-(1-methylethyl)-benzenemethanamine

10. N-isopropyl-n-benzylamine

11. Mfcd00008863

12. 67syc92fns

13. Nsc-60295

14. N-benzyl Isopropylamine

15. N-isopropylbenzylamine (hydrochloride)

16. Benzyl(propan-2-yl)amine

17. Einecs 203-067-6

18. Isopropyl Benzylamine

19. Nsc 60295

20. Benzyl-isopropyl-amine

21. Ai3-26799

22. Unii-67syc92fns

23. N-isopropylbenzylamine, 97%

24. Schembl143708

25. Chembl3229275

26. Dtxsid8059265

27. (1-methylethyl)(phenylmethyl)amine

28. Nsc60295

29. Stk500594

30. Akos000119921

31. Cs-w020642

32. As-63527

33. Sy032809

34. N-(1-methylethyl)benzenemethanamine

35. Db-000330

36. B1216

37. Ns00023197

38. C11247

39. N-isopropylbenzylamine, Purum, >=97.0% (gc)

40. Q3511281

41. W-108862

42. Inchi=1/c10h15n/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11h,8h2,1-2h

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅N
Molecular Weight	149.23 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12
Heavy Atom Count	11
Formal Charge	0
Complexity	93
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	1

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