(13C)methyl (13C,15N)carbamate|(13C)methyl (13C,15N)carbamate|Meth...

Molecular Formula

C₂H₅NO₂

Molecular Mass

78.04531857

Exact Mass

78.03577297

InChI

InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)/i1+1,2+1,3+1

InChIKey

GTCAXTIRRLKXRU-VMIGTVKRSA-N

Canonic Smiles

[13CH3]O[13C](=O)[15NH2]

Isomeric Smiles

[13CH3]O[13C](=O)[15NH2]

JChem

Acid pKa

15.228116

H Acceptors

H Donor

LogD (pH = 5.5)

-0.41099718

LogD (pH = 7.4)

-0.41099718

Log P

-0.41099718

Molar Refractivity

16.0895

Polarizability

6.4288325

Polar Surface Area

52.32

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

(¹³C)methyl (¹³C,¹⁵N)carbamate

IUPAC name

(¹³C)methyl (¹³C,¹⁵N)carbamate

Synonyms

Methyl carbamate-13C2,15NUrethylane-13C2,15N

MDL Number

MFCD20257121

PubChem SID

162230692

PubChem CID

71309798

Safety Information

European Hazard Symbols

Harmful (Xn)

Risk Statements

36-40

German water hazard class

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

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

Safety Statements

GHS Signal Word

Warning

GHS Hazard statements

H319-H351

GHS Precautionary statements

P281-P305+P351+P338

MSDS Link

Download link

Product Information

Isotopic Purity

99 atom % 13C

98 atom % 15N

Mol. Weight

mol wt 78.01 by atom % calculation

Linear Formula

15NH213COO13CH3

Purity

97% (CP)

Physical Property

Melting Point

56-58 °C(lit.)

Mass Shift

M+3

No Data Available

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No Data Available

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Sigma Aldrich

696005

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 Traditional name

(¹³C)methyl (¹³C,¹⁵N)carbamate

IUPAC name

(¹³C)methyl (¹³C,¹⁵N)carbamate

Synonyms

Methyl carbamate-13C2,15NUrethylane-13C2,15N

MDL Number

PubChem SID

PubChem CID

696005

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

European Hazard Symbols

Harmful (Xn)

Risk Statements

36-40

German water hazard class

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

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

Safety Statements

GHS Signal Word

Warning

GHS Hazard statements

H319-H351

GHS Precautionary statements

P281-P305+P351+P338

MSDS Link

Download link

Product Information

Isotopic Purity

99 atom % 13C

98 atom % 15N

Mol. Weight

mol wt 78.01 by atom % calculation

Linear Formula

15NH213COO13CH3

Purity

97% (CP)

Physical Property

Melting Point

56-58 °C(lit.)

Mass Shift

M+3

Molecule

ID:136422