CAS 1173018-57-9|Ammeline-13C3|diamino(2,4,6-13C3)-1,3,5-triazin-2-ol|diamino(2,4,6-13C3)-1,3,5-triazin-2-ol|三聚氰胺二酰胺-13C3|4,6-...

Molecular Formula

C₃H₅N₅O

Molecular Mass

130.08266451

Exact Mass

130.05947432

InChI

InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)/i1+1,2+1,3+1

InChIKey

MASBWURJQFFLOO-VMIGTVKRSA-N

Canonic Smiles

N[13c]1n[13c](N)n[13c](n1)O

Isomeric Smiles

[13c]1(n[13c](n[13c](n1)O)N)N

JChem

Acid pKa

14.429901

H Acceptors

H Donor

LogD (pH = 5.5)

-0.07212503

LogD (pH = 7.4)

-0.06936252

Log P

-0.069327146

Molar Refractivity

33.7413

Polarizability

10.710262

Polar Surface Area

110.94

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

diamino(2,4,6-¹³C₃)-1,3,5-triazin-2-ol

IUPAC Traditional name

diamino(2,4,6-¹³C₃)-1,3,5-triazin-2-ol

Synonyms

Ammeline-13C3三聚氰胺二酰胺-13C34,6-二氨基-2-羟基-1,3,5-三嗪-13C34,6-Diamino-2-hydroxy-1,3,5-triazine-13C3

CAS Number

MDL Number

PubChem SID

PubChem CID

Safety Information

GHS Precautionary statements

P305+P351+P338

GHS Signal Word

Warning

German water hazard class

Risk Statements

22-36

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

Safety Statements

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

GHS Hazard statements

H302-H319

Product Information

Mol. Weight

mol wt 130.05 by atom % calculation

Empirical Formula (Hill Notation)

13C3H5N5O

Isotopic Purity

99 atom % 13C

Purity

95% (CP)

Physical Property

Mass Shift

M+3

No Data Available

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No Data Available

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Sigma Aldrich

709263

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 name

diamino(2,4,6-¹³C₃)-1,3,5-triazin-2-ol

IUPAC Traditional name

diamino(2,4,6-¹³C₃)-1,3,5-triazin-2-ol

Synonyms

Ammeline-13C3三聚氰胺二酰胺-13C34,6-二氨基-2-羟基-1,3,5-三嗪-13C34,6-Diamino-2-hydroxy-1,3,5-triazine-13C3

CAS Number

MDL Number

PubChem SID

PubChem CID

Safety Information

GHS Precautionary statements

P305+P351+P338

GHS Signal Word

Warning

German water hazard class

Risk Statements

22-36

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

Safety Statements

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

GHS Hazard statements

H302-H319

Product Information

Mol. Weight

mol wt 130.05 by atom % calculation

Empirical Formula (Hill Notation)

13C3H5N5O

Isotopic Purity

99 atom % 13C

Purity

95% (CP)

Physical Property

Mass Shift

M+3

Sigma Aldrich

709263

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

Molecule

ID:135764