N,N-Dimethyl-1,3-dioxolane-4-methylamine - CAS 89584-26-9

Name: N,N-Dimethyl-1,3-dioxolane-4-methylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB067203
Product Name:	N,N-Dimethyl-1,3-dioxolane-4-methylamine
CAS:	89584-26-9
Synonyms:	1-(1,3-Dioxolan-4-yl)-N,N-dimethylmethanamine

Technical Data

Computed Properties

IUPAC Name:	1-(1,3-dioxolan-4-yl)-N,N-dimethylmethanamine
Description:	N,N-Dimethyl-1,3-dioxolane-4-methylamine is an intermediate in the synthesis of Oxapropanium Iodide (O845350), which has shown parasympathomimetic and muscarinic action in animals.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	CN(C)CC1COCO1
InChI:	InChI=1S/C6H13NO2/c1-7(2)3-6-4-8-5-9-6/h6H,3-5H2,1-2H3
InChI Key:	VBLJBOQOZHMHGR-UHFFFAOYSA-N
References:	Fourneau, E., et. al. B. Soc. Chim. Bio., 26, 516 (1944).

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Related Functional Groups

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Complexity:	85.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.094628657
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	21.7Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1