CAS 286367-73-5|N,N-dimethyl(1,2-13C2)acetamide|N,N-dimethyl(1,2-13C2)acetamide|N,N-Dimethylacetamide-1,2-13C2|N,N-二甲基乙酰胺-1,2-...

Molecular Formula

C₄H₉NO

Molecular Mass

89.10566968

Exact Mass

89.07512359

InChI

InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1+1,4+1

InChIKey

FXHOOIRPVKKKFG-VFZPYAPFSA-N

Canonic Smiles

[13CH3][13C](=O)N(C)C

Isomeric Smiles

CN(C)[13C](=O)[13CH3]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.58293635

LogD (pH = 7.4)

-0.5829362

Log P

-0.58293617

Molar Refractivity

24.2593

Polarizability

9.313932

Polar Surface Area

20.31

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

N,N-dimethyl(1,2-¹³C₂)acetamide

IUPAC Traditional name

N,N-dimethyl(1,2-¹³C₂)acetamide

Synonyms

N,N-Dimethylacetamide-1,2-13C2N,N-二甲基乙酰胺-1,2-13C2

MDL Number

CAS Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

13CH313CON(CH3)2

Mol. Weight

mol wt 89.09 by atom % calculation

Physical Property

Safety Information

GHS Signal Word

Danger

European Hazard Symbols

Toxic (T)

Download link

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

P201-P280-P308+P313

61-20/21

53-45

H312-H332-H360D

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

587982

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

Commercial Catalog

Academic Data

IUPAC name

N,N-dimethyl(1,2-¹³C₂)acetamide

IUPAC Traditional name

N,N-dimethyl(1,2-¹³C₂)acetamide

Synonyms

N,N-Dimethylacetamide-1,2-13C2N,N-二甲基乙酰胺-1,2-13C2

MDL Number

CAS Number

PubChem CID

PubChem SID

587982

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

Product Information

Isotopic Purity

99 atom % 13C

Linear Formula

13CH313CON(CH3)2

Mol. Weight

mol wt 89.09 by atom % calculation

Physical Property

Safety Information

GHS Signal Word

Danger

European Hazard Symbols

Toxic (T)

Download link

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

P201-P280-P308+P313

61-20/21

53-45

H312-H332-H360D

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Molecule

ID:134671