CAS 287399-26-2|(1,2,3-13C3)prop-2-enamide|Acrylamide-13C3|丙烯酰胺-13C3|(1,2,3-13C3)prop-2-enamide

Molecular Formula

C₃H₅NO

Molecular Mass

74.05586451

Exact Mass

74.0471783

InChI

InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)/i1+1,2+1,3+1

InChIKey

HRPVXLWXLXDGHG-VMIGTVKRSA-N

Canonic Smiles

N[13C](=O)[13CH]=[13CH2]

Isomeric Smiles

[13CH2]=[13CH][13C](=O)N

JChem

Acid pKa

16.699757

H Acceptors

H Donor

LogD (pH = 5.5)

-0.27400455

LogD (pH = 7.4)

-0.27399543

Log P

-0.2739953

Molar Refractivity

19.1136

Polarizability

7.2341156

Polar Surface Area

43.09

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

(1,2,3-¹³C₃)prop-2-enamide

Synonyms

Acrylamide-13C3丙烯酰胺-13C3

IUPAC Traditional name

(1,2,3-¹³C₃)prop-2-enamide

CAS Number

MDL Number

PubChem SID

PubChem CID

Physical Property

Melting Point

82-86 °C(lit.)

Boiling Point

125 °C/25 mmHg(lit.)

Mass Shift

M+3

MSDS Link

Download link

GHS Precautionary statements

P201-P280-P301+P310-P305+P351+P338-P308+P313

45-46-20/21-25-36/38-43-48/23/24/25-62

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

H301-H312-H315-H317-H319-H332-H340-H350-H361f-H372

UN 2074 6.1/PG 3

Product Information

98% (CP)

H213C=13CH13CONH2

99 atom % 13C

mol wt 74.03 by atom % calculation

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Sigma Aldrich

586617

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 name

(1,2,3-¹³C₃)prop-2-enamide

Synonyms

Acrylamide-13C3丙烯酰胺-13C3

IUPAC Traditional name

(1,2,3-¹³C₃)prop-2-enamide

CAS Number

MDL Number

PubChem SID

PubChem CID

586617

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

Physical Property

Melting Point

82-86 °C(lit.)

Boiling Point

125 °C/25 mmHg(lit.)

Mass Shift

M+3

Safety Information

Product Information

98% (CP)

H213C=13CH13CONH2

99 atom % 13C

mol wt 74.03 by atom % calculation

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Molecule

ID:134704