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Also known as: 1698293-93-4, 4-methyl-2-propan-2-ylpyridin-3-amine, Mfcd30828926, 3-amino-2-isopropyl-4-methylpyridine, Schembl19590668, Tqp0005
Molecular Formula
C9H14N2
Molecular Weight
150.22  g/mol
InChI Key
VXPOAPWLMVAUCK-UHFFFAOYSA-N

CAS 1698293-93-4
1 2D Structure

CAS 1698293-93-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methyl-2-propan-2-ylpyridin-3-amine
2.1.2 InChI
InChI=1S/C9H14N2/c1-6(2)9-8(10)7(3)4-5-11-9/h4-6H,10H2,1-3H3
2.1.3 InChI Key
VXPOAPWLMVAUCK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NC=C1)C(C)C)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1698293-93-4

2. 4-methyl-2-propan-2-ylpyridin-3-amine

3. Mfcd30828926

4. 3-amino-2-isopropyl-4-methylpyridine

5. Schembl19590668

6. Tqp0005

7. Amy16929

8. Bcp31351

9. 2-isopropyl-4-methyl-pyridin-3-amine

10. Akos037645687

11. Zinc232746054

12. Cs-w018348

13. Pb48292

14. As-62265

15. Sy251570

16. 4-methyl-2-(propan-2-yl)pyridin-3-amine

17. Ft-0700850

18. A901831

2.3 Create Date
2016-01-15
3 Chemical and Physical Properties
Molecular Weight 150.22 g/mol
Molecular Formula C9H14N2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass150.115698455 g/mol
Monoisotopic Mass150.115698455 g/mol
Topological Polar Surface Area38.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity123
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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