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Chemistry

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Also known as: 53844-46-5, (+/-)-isomyosmine, (+/-)-iso myosmine, Isomyosamine, (+/-)-iso myosmine, technical grade, Isomyosamine, (+/-)-
Molecular Formula
C9H10N2
Molecular Weight
146.19  g/mol
InChI Key
GXTVPHUMJMZDSF-UHFFFAOYSA-N
FDA UNII
3A50Y1J4LP

Isomyosamine
1 2D Structure

Isomyosamine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(3,4-dihydro-2H-pyrrol-2-yl)pyridine
2.1.2 InChI
InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5-7,9H,2,4H2
2.1.3 InChI Key
GXTVPHUMJMZDSF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(N=C1)C2=CN=CC=C2
2.2 Other Identifiers
2.2.1 UNII
3A50Y1J4LP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Isomyosmine

2. Mymd-1

2.3.2 Depositor-Supplied Synonyms

1. 53844-46-5

2. (+/-)-isomyosmine

3. (+/-)-iso Myosmine

4. Isomyosamine

5. (+/-)-iso Myosmine, Technical Grade

6. Isomyosamine, (+/-)-

7. 3a50y1j4lp

8. (/-)-isomyosmine

9. Unii-3a50y1j4lp

10. 3-(1-pyrroline-5-yl)pyridine

11. Schembl18003636

12. Dtxsid80461155

13. Akos030254608

14. Ft-0670475

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 146.19 g/mol
Molecular Formula C9H10N2
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.084398327 g/mol
Monoisotopic Mass146.084398327 g/mol
Topological Polar Surface Area25.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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