CAS 4320-94-9|CAS 51444-31-6|2-(1H-1,2,4-Triazol-1-yl)ethylamine|2-(1H-1,2,4-triazol-1-yl)ethan-1-amine|1-(2-Aminoethyl)-1H-1,2,4-triazole|2-[1,2,4]TRIAZOL-1-YL-ETHYLAMINE|1-(2-Aminoethyl)-1H-1,2,4-...

Molecular Formula

C₄H₈N₄

Molecular Mass

112.13312

Exact Mass

112.07489628

InChI

InChI=1S/C4H8N4/c5-1-2-8-4-6-3-7-8/h3-4H,1-2,5H2

InChIKey

IDWZESHNJMMWTR-UHFFFAOYSA-N

Canonic Smiles

NCCn1cncn1

Isomeric Smiles

n1(cncn1)CCN

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-4.0826216

LogD (pH = 7.4)

-3.25455

Log P

-1.0823976

Molar Refractivity

42.0853

Polarizability

11.40102

Polar Surface Area

56.73

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

3039957

Synonyms

2-(1H-1,2,4-Triazol-1-yl)ethylamine1-(2-Aminoethyl)-1H-1,2,4-triazole2-[1,2,4]TRIAZOL-1-YL-ETHYLAMINE1-(2-Aminoethyl)-1H-1,2,4-triazole2-(1H-1,2,4-Triazol-1-yl)ethylamine2-(1H-1,2,4-triazol-1-yl)ethanamine

IUPAC name

2-(1H-1,2,4-triazol-1-yl)ethan-1-amine

IUPAC Traditional name

2-(1,2,4-triazol-1-yl)ethanamine

MDL Number

MFCD01678670

PubChem SID

162042736

Safety Information

Storage Warning

Irritant

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

Safety Statements

26-37-60

TSCA Listed

否

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

Product Information

Purity

95%

98%

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Academic Data

PubChem

3039957

Synonyms

IUPAC name

2-(1H-1,2,4-triazol-1-yl)ethan-1-amine

IUPAC Traditional name

2-(1,2,4-triazol-1-yl)ethanamine

MDL Number

MFCD01678670

PubChem SID

162042736

Safety Information

Storage Warning

Irritant

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

Safety Statements

26-37-60

TSCA Listed

否

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

Product Information

Purity

95%

98%

No Data Available

Click here to submit data

Molecule

ID:77893