CAS 33421-40-8|5-phenylpyridin-2-amine|5-phenylpyridin-2-amine|2-Amino-5-phenylpyridine|5-Phenylpyridin-2-ylamine|Phe-P-1|5-Phenyl-2-pyridinamine|5-phenylpyridin-2-amine|2-氨基-5-苯基吡啶|2-Amino-5-...

Molecular Formula

C₁₁H₁₀N₂

Molecular Mass

170.2105

Exact Mass

170.08439833

InChI

InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)

InChIKey

OAPVIBHQRYFYSE-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cn1)c1ccccc1

Isomeric Smiles

c1ccc(cc1)c1cnc(cc1)N

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3609896

LogD (pH = 7.4)

2.1336884

Log P

2.1683304

Molar Refractivity

54.0512

Polarizability

21.620897

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

105097

IUPAC name

5-phenylpyridin-2-amine

IUPAC Traditional name

5-phenylpyridin-2-amine

Synonyms

2-Amino-5-phenylpyridine5-Phenylpyridin-2-ylaminePhe-P-15-Phenyl-2-pyridinamine5-phenylpyridin-2-amine2-氨基-5-苯基吡啶2-Amino-5-phenylpyridine

CAS Number

33421-40-8

PubChem SID

160973606

MDL Number

MFCD01692452

TSCA Listed

false

否

MSDS Link

Download link

Storage Condition

-20°C Freezer

P280H-P305+P351+P338

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

H351-H315-H319-H335

Physical Property

Product Information

97%

95%

98%

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No Data Available

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No Data Available

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TRC

A626745

A product from the pyrolysis of phenylalanine.

From Data Sources

• Che, W., et al.: Env. Toxicol. Pharmacol., 24, 11 (2005)

• Kim, D., et al.: Bioorg. Med. Chem. Lett., 15, 2129 (2005)

• Heitman, L., et al.: J. Med. Chem., 51, 4724 (2005)

Academic Data

PubChem

105097

IUPAC name

5-phenylpyridin-2-amine

IUPAC Traditional name

5-phenylpyridin-2-amine

Synonyms

2-Amino-5-phenylpyridine5-Phenylpyridin-2-ylaminePhe-P-15-Phenyl-2-pyridinamine5-phenylpyridin-2-amine2-氨基-5-苯基吡啶2-Amino-5-phenylpyridine

CAS Number

PubChem SID

MDL Number

A626745

A product from the pyrolysis of phenylalanine.

From Data Sources

• Che, W., et al.: Env. Toxicol. Pharmacol., 24, 11 (2005)

• Kim, D., et al.: Bioorg. Med. Chem. Lett., 15, 2129 (2005)

• Heitman, L., et al.: J. Med. Chem., 51, 4724 (2005)

Safety Information

Physical Property

Product Information

97%

95%

98%

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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

Ethyl Acetate

Apperance

Pale Yellow Solid

Hydrophobicity(logP)

2.206

Molecule

ID:10299