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Also known as: 91374-23-1, N-(2-methyl-3-nitrophenethyl)-n-propylpropan-1-amine, N-[2-(2-methyl-3-nitrophenyl)ethyl]-n-propylpropan-1-amine, [2-(2-methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine, N,n-dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine, D(+)-cellobioseoctaacetate
Molecular Formula
C15H24N2O2
Molecular Weight
264.36  g/mol
InChI Key
YTNVHUSMDIAWLT-UHFFFAOYSA-N

CAS 91374-23-1
1 2D Structure

CAS 91374-23-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine
2.1.2 InChI
InChI=1S/C15H24N2O2/c1-4-10-16(11-5-2)12-9-14-7-6-8-15(13(14)3)17(18)19/h6-8H,4-5,9-12H2,1-3H3
2.1.3 InChI Key
YTNVHUSMDIAWLT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCN(CCC)CCC1=C(C(=CC=C1)[N+](=O)[O-])C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 91374-23-1

2. N-(2-methyl-3-nitrophenethyl)-n-propylpropan-1-amine

3. N-[2-(2-methyl-3-nitrophenyl)ethyl]-n-propylpropan-1-amine

4. [2-(2-methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine

5. N,n-dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine

6. D(+)-cellobioseoctaacetate

7. Schembl3841214

8. Dtxsid30536201

9. Act05040

10. Bcp22606

11. Mfcd09751331

12. Zinc16697773

13. Akos015890002

14. Ac-8257

15. Db-012571

16. Am20041397

17. Ft-0654786

18. [2-(2-methyl-3-nitrophenyl)ethyl]dipropylamine

19. 2-(2-methyl-3-nitro-phenyl)ethyl-dipropyl-amine

20. 374d231

21. Q-102411

22. 2-methyl-3-nitro-n,n-di-n-propyl Phenyl Ethyl Amine

23. 6-[2-(dipropylamino)ethyl]-2-nitro-1-methylbenzene

24. 2-methyl-3-nitro-n, N-di-n-propyl Phenyl Ethyl Amine

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 264.36 g/mol
Molecular Formula C15H24N2O2
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass264.183778013 g/mol
Monoisotopic Mass264.183778013 g/mol
Topological Polar Surface Area49.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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