CAS 64277-22-1

1 2D Structure

CAS 64277-22-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1-dimethoxy-N,N-dimethylbutan-1-amine

2.1.2 InChI

InChI=1S/C8H19NO2/c1-6-7-8(10-4,11-5)9(2)3/h6-7H2,1-5H3

2.1.3 InChI Key

DNPQBYAXYLQWCQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC(N(C)C)(OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1,1-dimethoxy-n,n-dimethylbutan-1-amine

2. 64277-22-1

3. Schembl11252739

4. Dtxsid70517397

5. Zinc39387564

6. Akos030228089

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₉NO₂
Molecular Weight	161.24 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	161.141578849 g/mol
Monoisotopic Mass	161.141578849 g/mol
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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