CAS 344239-80-1|(1,2,3-13C3)propane|(1,2,3-13C3)propane|丙烷-13C3|Propane-13C3

Molecular Formula

C₃H₈

Molecular Mass

47.07358451

Exact Mass

47.07266477

InChI

InChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i1+1,2+1,3+1

InChIKey

ATUOYWHBWRKTHZ-VMIGTVKRSA-N

Canonic Smiles

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

Isomeric Smiles

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

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.797432

LogD (pH = 7.4)

1.797432

Log P

1.797432

Molar Refractivity

15.6052

Polarizability

6.2897286

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

(1,2,3-¹³C₃)propane

IUPAC name

(1,2,3-¹³C₃)propane

Synonyms

丙烷-13C3Propane-13C3

MDL Number

CAS Number

PubChem CID

PubChem SID

GHS Hazard statements

H220-H280

German water hazard class

nwg

GHS Signal Word

Danger

GHS Precautionary statements

P210-P410+P403

Risk Statements

UN Number

1978

GHS Pictograms

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

Gases under pressure

Compressed gases

Liquefied gases

Refrigerated Liquefied gases

Dissolved gases

RID/ADR

UN 1978 2.1

Safety Statements

9-16

MSDS Link

Download link

Hazard Class

2.1

European Hazard Symbols

Highly flammable (F+)

Product Information

Linear Formula

13CH313CH213CH3

Isotopic Purity

99 atom % 13C

Physical Property

Mass Shift

M+3

Boiling Point

-42.1 °C(lit.)

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Sigma Aldrich

586315

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

IUPAC Traditional name

(1,2,3-¹³C₃)propane

IUPAC name

(1,2,3-¹³C₃)propane

Synonyms

丙烷-13C3Propane-13C3

MDL Number

CAS Number

PubChem CID

PubChem SID

586315

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

Safety Information

Product Information

Linear Formula

13CH313CH213CH3

Isotopic Purity

99 atom % 13C

Physical Property

Mass Shift

M+3

Boiling Point

-42.1 °C(lit.)

Molecule

ID:134787