CAS 100-37-8|2-(diethylamino)ethan-1-ol|DEAE|2-(diethylamino)ethanol|N,N-Diethylethanolamine |2-Diethylaminoethanol |N,N-Diethyl-2-aminoethanol|(2-Hydroxyethyl)diethylami...

Molecular Formula

C₆H₁₅NO

Molecular Mass

117.1894

Exact Mass

117.11536411

InChI

InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3

InChIKey

BFSVOASYOCHEOV-UHFFFAOYSA-N

Canonic Smiles

OCCN(CC)CC

Isomeric Smiles

N(CCO)(CC)CC

JChem

LogD (pH = 7.4)

-1.92

LogD (pH = 5.5)

-3.18

Log P

0.21

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.55

Polar Surface Area

23.47

Polarizability

14.42

Molar Refractivity

35.78

LOG S

0.26

IUPAC Traditional name

DEAE

IUPAC name

2-(diethylamino)ethan-1-ol

Synonyms

2-(diethylamino)ethanol2-Diethylaminoethanol N,N-Diethylethanolamine N,N-Diethyl-2-aminoethanolDiethylethanolamine(2-Hydroxyethyl)diethylamineDiethylaminoethanol 二乙氨基乙醇N,N-二乙基乙醇胺Diethyl(2-hydroxyethyl)amine DEEAN,N-DiethylethanolamineDEAE2-(Diethylamino)ethanol2-(二乙基氨基)乙醇N-(2-Hydroxyethyl)diethylaminediethylethanolaminebeta-hydroxytriethylamineDiethyl(2-hydroxyethyl)amineN,N-Diethyl-2-aminoethanol2-diethylaminoethanoldiethylmonoethanolamineDiethylaminoethanolDEAEN,N-diethyl-N-(beta-hydroxyethyl)amineN,N-Diethylethanolaminebeta-(diethylamino)ethyl alcohol

Chemspider ID

Beilstein Number

MDL Number

BKMS React Database

CompTox Database

BRENDA Ligand Database

Reaxys Registry

SureChEMBL Database

HMDB Database

NMRShiftDB Database

ACToR Database

PubMed Citation Links

22325017

Physical Property

LD50

1.113 g kg^-1 (dermal, rabbit)

1.3 g kg^-1 (oral, rat)

Safety Statements

s1/2,s25,s26,s36/37/39,s45

25-26-36/37/39-45

Risk Statements

r10,r20/21/22,r34

10-20/21/22-34

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

UN Number

2686

UN2686

GHS Signal Word

DANGER

Danger

RTECS

KK5075000

EU Index

603-048-00-6

Explode Limits

1.4–11.7%

11.7 %

GHS Precautionary statements

280,305+351+338,310

P280-P305+P351+P338-P310

P280-P262-P303+P361+P353-P305+P351+P338-P310

GHS Hazard statements

226,302,312,314,317,332

H226-H302-H312-H314-H317-H332

H314-H318-H226-H302-H312-H332

Hazard Class

RID/ADR

UN 2686 8/PG 2

German water hazard class

MSDS Link

Download link

European Hazard Symbols

Corrosive (C)

Harmful (X)

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Packing Group

TSCA Listed

是

Product Information

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

471321

Packaging
100, 500 mL in glass bottle
18 L in steel drum
2 L in glass bottle

ChEBI

CHEBI:52153

A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups.

No Data Available

Click here to submit data

IUPAC Traditional name

DEAE

IUPAC name

2-(diethylamino)ethan-1-ol

Synonyms

Chemspider ID

Beilstein Number

MDL Number

BKMS React Database

CompTox Database

BRENDA Ligand Database

Reaxys Registry

SureChEMBL Database

HMDB Database

NMRShiftDB Database

ACToR Database

PubMed Citation Links

22325017

Physical Property

Safety Information

Product Information

Sigma Aldrich

471321

Packaging
100, 500 mL in glass bottle
18 L in steel drum
2 L in glass bottle

ChEBI

CHEBI:52153

A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups.

No Data Available

Click here to submit data

Molecule

ID:123320