CAS 111-95-5 | Bis(2-methoxyethyl)amine | CAS Number 111-95-5

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111-95-5 | Bis(2-methoxyethyl)amine

CAS No: 111-95-5 Catalog No: AG0034IY MDL No:MFCD00025906

Product Description

Catalog Number:

AG0034IY

Chemical Name:

Bis(2-methoxyethyl)amine

CAS Number:

111-95-5

Molecular Formula:

C6H15NO2

Molecular Weight:

133.1888

MDL Number:

MFCD00025906

IUPAC Name:

2-methoxy-N-(2-methoxyethyl)ethanamine

InChI:

InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3

InChI Key:

IBZKBSXREAQDTO-UHFFFAOYSA-N

SMILES:

COCCNCCOC

EC Number:

203-923-9

NSC Number:

78431

Properties

Complexity:

44.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

133.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

133.191g/mol

Monoisotopic Mass:

133.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
Ammonia free partial reduction of aromatic compounds using lithium di-tert-butylbiphenyl (LiDBB).	The Journal of organic chemistry 20020712