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Also known as: 81403-67-0, N-(3-(methylamino)propyl)tetrahydrofuran-2-carboxamide, Tetrahydrofuran-2-carboxylic acid (3-methylaminopropyl)amide, [(3-methylamino)propyl]tetrahydro-2-furancarboxamide, Tetrahydrofuran-2-carboxylic acid (3-methylamino-propyl)-amide, N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide
Molecular Formula
C9H18N2O2
Molecular Weight
186.25  g/mol
InChI Key
AUXJTEANWWFSRR-UHFFFAOYSA-N

CAS 81403-67-0
1 2D Structure

CAS 81403-67-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[3-(methylamino)propyl]oxolane-2-carboxamide
2.1.2 InChI
InChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)
2.1.3 InChI Key
AUXJTEANWWFSRR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNCCCNC(=O)C1CCCO1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 81403-67-0

2. N-(3-(methylamino)propyl)tetrahydrofuran-2-carboxamide

3. Tetrahydrofuran-2-carboxylic Acid (3-methylaminopropyl)amide

4. [(3-methylamino)propyl]tetrahydro-2-furancarboxamide

5. Tetrahydrofuran-2-carboxylic Acid (3-methylamino-propyl)-amide

6. N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide

7. 2-furancarboxamide, Tetrahydro-n-[3-(methylamino)propyl]-

8. Schembl4234473

9. Dtxsid90441367

10. Akos009618069

11. Ft-0655664

12. 403m670

13. A840120

14. Tetrahydro-n-[3-(methylamino)-propyl]-2-furancarboxamide

15. Tetrahydro-n-[3-(methylamino)propyl]-2-furancarboxamide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 186.25 g/mol
Molecular Formula C9H18N2O2
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass186.136827821 g/mol
Monoisotopic Mass186.136827821 g/mol
Topological Polar Surface Area50.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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