CAS 334973-64-7|菲-9,10-13C2|(9,10-13C2)phenanthrene|(9,10-13C2)phenanthrene|Phenanthrene-9,10-13C2|NSC 26256-9,10-13C2|Phenanthrene...

General Information

Structure

Molecular Formula

C₁₄H₁₀

Molecular Mass

180.21450968

Exact Mass

180.08496

Charge

InChI

InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i9+1,10+1

InChIKey

YNPNZTXNASCQKK-OJJJIBSVSA-N

Canonic Smiles

c1ccc2c(c1)c1ccccc1[13cH][13cH]2

Isomeric Smiles

c1ccc2c(c1)[13cH][13cH]c1c2cccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.9521992

LogD (pH = 7.4)

3.9521992

Log P

3.9521992

Molar Refractivity

58.9584

Polarizability

25.773977

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

菲-9,10-13C2Phenanthrene-9,10-13C2NSC 26256-9,10-13C2Phenanthrene-9,10-13C2Ravatite-9,10-13C2[3]Helicene-9,10-13C2

IUPAC name

(9,10-¹³C₂)phenanthrene

IUPAC Traditional name

(9,10-¹³C₂)phenanthrene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Product Information

Empirical Formula (Hill Notation)

13C2C12H10

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 180.21 by atom % calculation

Certificate of Analysis

Download link

Physical Property

98-100 °C(lit.)

340 °C(lit.)

M+2

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

595950

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.

TRC

P294804

Labelled polycyclic aromatic hydrocarbons as micropollutants.

Molecule Details

References

PubChem Literature

From Data Sources

• Vines, C., et al.: Aquat. Toxicol., 51, 225 (2000)

• Di Toro, D., et al.: Environ. Toxicol. Chem., 19, 1971 (2000)

• Incardona, J., et al.: Toxicol. Appl. Pharmacol., 196, 191 (2000)

• Junghans, M., et al.: Aquat. Toxicol., 76, 93 (2000)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

菲-9,10-13C2Phenanthrene-9,10-13C2NSC 26256-9,10-13C2Phenanthrene-9,10-13C2Ravatite-9,10-13C2[3]Helicene-9,10-13C2

IUPAC name

(9,10-¹³C₂)phenanthrene

IUPAC Traditional name

(9,10-¹³C₂)phenanthrene

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Molecule Details

595950

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.

TRC

P294804

Labelled polycyclic aromatic hydrocarbons as micropollutants.

References

PubChem Literature

From Data Sources

• Vines, C., et al.: Aquat. Toxicol., 51, 225 (2000)

• Di Toro, D., et al.: Environ. Toxicol. Chem., 19, 1971 (2000)

• Incardona, J., et al.: Toxicol. Appl. Pharmacol., 196, 191 (2000)

• Junghans, M., et al.: Aquat. Toxicol., 76, 93 (2000)

Bioactivity

PubChem BioAssay

Properties

Product Information

Empirical Formula (Hill Notation)

13C2C12H10

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 180.21 by atom % calculation

Certificate of Analysis

Download link

Physical Property

98-100 °C(lit.)

340 °C(lit.)

M+2

Molecule

ID:134706