CAS 287399-43-3|Dodecane-13C12|(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane|(1,2,3,4,5,6,7,8,9,10,11,12-13C12)do...

Molecular Formula

C₁₂H₂₆

Molecular Mass

182.24669806

Exact Mass

182.24370889

InChI

InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1

InChIKey

SNRUBQQJIBEYMU-WCGVKTIYSA-N

Canonic Smiles

[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3]

Isomeric Smiles

[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.7985497

LogD (pH = 7.4)

5.7985497

Log P

5.7985497

Molar Refractivity

57.0142

Polarizability

22.910648

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Commercial Catalog

Academic Data

Synonyms

Dodecane-13C12十二烷-13C12

IUPAC Traditional name

(1,2,3,4,5,6,7,8,9,10,11,12-¹³C₁₂)dodecane

IUPAC name

(1,2,3,4,5,6,7,8,9,10,11,12-¹³C₁₂)dodecane

MDL Number

CAS Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 182.14 by atom % calculation

Linear Formula

13CH3(13CH2)1013CH3

Physical Property

Safety Information

GHS Signal Word

Danger

Safety Statements

GHS Hazard statements

H304

GHS Precautionary statements

P301+P310-P331

Harmful (Xn)

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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

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No Data Available

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Sigma Aldrich

606650

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

Dodecane-13C12十二烷-13C12

IUPAC Traditional name

(1,2,3,4,5,6,7,8,9,10,11,12-¹³C₁₂)dodecane

IUPAC name

(1,2,3,4,5,6,7,8,9,10,11,12-¹³C₁₂)dodecane

MDL Number

CAS Number

PubChem CID

PubChem SID

606650

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

Mol. Weight

mol wt 182.14 by atom % calculation

Linear Formula

13CH3(13CH2)1013CH3

Physical Property

Safety Information

GHS Signal Word

Danger

Safety Statements

GHS Hazard statements

H304

GHS Precautionary statements

P301+P310-P331

Harmful (Xn)

Download link

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:135373