CAS 13220-33-2 | 3-Pyrrolidinol, 1-methyl- | CAS Number 13220-33-2

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13220-33-2 | 3-Pyrrolidinol, 1-methyl-

CAS No: 13220-33-2 Catalog No: AG0010CV MDL No:MFCD00003176

Product Description

Catalog Number:

AG0010CV

Chemical Name:

3-Pyrrolidinol, 1-methyl-

CAS Number:

13220-33-2

Molecular Formula:

C5H11NO

Molecular Weight:

101.1469

MDL Number:

MFCD00003176

IUPAC Name:

1-methylpyrrolidin-3-ol

InChI:

InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3

InChI Key:

FLVFPAIGVBQGET-UHFFFAOYSA-N

SMILES:

CN1CCC(C1)O

EC Number:

236-189-3

NSC Number:

89279

Properties

Complexity:

65.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

101.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

101.149g/mol

Monoisotopic Mass:

101.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Stereoisomers of N-substituted soft anticholinergics and their zwitterionic metabolite based on glycopyrrolate--syntheses and pharmacological evaluations.	Die Pharmazie 20080301
Studies on a soft glycopyrrolate analog, SG-1.	Die Pharmazie 20020201