N-Methyldiethanol-1,1,1′,1′-d4 amine|({[2-hydroxy(2,2-2H2)ethyl](methyl)amino}methyl)(2H2)methanol|({[2-hydroxy(2,2-2H2)ethyl](met...

Molecular Formula

C₅H₁₃NO₂

Molecular Mass

119.16222

Exact Mass

119.09462866

InChI

InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3

InChIKey

CRVGTESFCCXCTH-UHFFFAOYSA-N

Canonic Smiles

OCCN(CCO)C

Isomeric Smiles

C(CN(C)CCO)O

JChem

Acid pKa

15.292618

H Acceptors

H Donor

LogD (pH = 5.5)

-4.211487

LogD (pH = 7.4)

-2.5045085

Log P

-1.1900345

Molar Refractivity

32.5727

Polarizability

12.719586

Polar Surface Area

43.7

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

N-Methyldiethanol-1,1,1′,1′-d4 amine2,2′-Methyliminodiethanol-1,1,1′,1′-d4MDEA-1,1,1′,1′-d4

IUPAC name

({[2-hydroxy(2,2-²H₂)ethyl](methyl)amino}methyl)(²H₂)methanol

IUPAC Traditional name

({[2-hydroxy(2,2-²H₂)ethyl](methyl)amino}methyl)(²H₂)methanol

MDL Number

MFCD18632585

PubChem SID

162230570

PubChem CID

71309716

Physical Property

Density

1.072 g/mL at 25 °C

Boiling Point

246-248 °C(lit.)

Mass Shift

M+4

Safety Information

European Hazard Symbols

Irritant (Xi)

GHS Signal Word

Warning

MSDS Link

Download link

Risk Statements

Safety Statements

GHS Pictograms

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

GHS Precautionary statements

P305+P351+P338

German water hazard class

GHS Hazard statements

H319

Product Information

Linear Formula

CH3N(CH2CD2OH)2

Purity

97% (CP)

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 123.11 by atom % calculation

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Sigma Aldrich

733113

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

N-Methyldiethanol-1,1,1′,1′-d4 amine2,2′-Methyliminodiethanol-1,1,1′,1′-d4MDEA-1,1,1′,1′-d4

IUPAC name

({[2-hydroxy(2,2-²H₂)ethyl](methyl)amino}methyl)(²H₂)methanol

IUPAC Traditional name

({[2-hydroxy(2,2-²H₂)ethyl](methyl)amino}methyl)(²H₂)methanol

MDL Number

MFCD18632585

PubChem SID

162230570

PubChem CID

71309716

Physical Property

Density

1.072 g/mL at 25 °C

Boiling Point

246-248 °C(lit.)

Mass Shift

M+4

Safety Information

European Hazard Symbols

Irritant (Xi)

GHS Signal Word

Warning

MSDS Link

Download link

Risk Statements

Safety Statements

GHS Pictograms

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

GHS Precautionary statements

P305+P351+P338

German water hazard class

GHS Hazard statements

H319

Product Information

Linear Formula

CH3N(CH2CD2OH)2

Purity

97% (CP)

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 123.11 by atom % calculation

Sigma Aldrich

733113

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Molecule

ID:136300