N,N-Dimethylformamide dipropyl acetal - CAS 6006-65-1

Catalog:	BB030594
Product Name:	N,N-Dimethylformamide dipropyl acetal
CAS:	6006-65-1
Synonyms:	N,N-dimethyl-1,1-dipropoxymethanamine

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Computed Properties

IUPAC Name:	N,N-dimethyl-1,1-dipropoxymethanamine
Description:	N,N-Dimethylformamide dipropyl acetal (CAS# 6006-65-1) is a useful research chemical.
Molecular Weight:	175.27
Molecular Formula:	C9H21NO2
Canonical SMILES:	CCCOC(N(C)C)OCCC
InChI:	InChI=1S/C9H21NO2/c1-5-7-11-9(10(3)4)12-8-6-2/h9H,5-8H2,1-4H3
InChI Key:	NSLGQFIDCADTAS-UHFFFAOYSA-N
Boiling Point:	67-68 ℃ (14 mmHg)
Density:	0.854 g/cm³
LogP:	1.68480

Publication Number	Title	Priority Date
EP-3888615-A1	Dental photocurable composition containing high soluble photoacid generator	20200316
EP-3888616-A1	Dental photocurable composition excellent in color tone selectivity	20200316
EP-3812767-A1	Method for preparing analysis sample, analysis method, and kit for preparing analysis sample	20191021
CN-112763286-A	Method for preparing sample for analysis, method for analysis, and kit for preparing sample for analysis	20191021
JP-2021067524-A	Analytical sample preparation method, analytical method and analytical sample preparation kit	20191021

PMID	Publication Date	Title	Journal
11318064	20010401	Use of a statistically designed experimental approach to optimize the propylketal derivatization of barbiturates	Journal of chromatographic science

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	88.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.157228913
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.157228913
Rotatable Bond Count:	7
Topological Polar Surface Area:	21.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2