CAS 174561-11-6|2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethanol|1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine|2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol|1-(4-Fluorobenzyl)-4-(2-hyd...

Molecular Formula

C₁₃H₁₉FN₂O

Molecular Mass

238.3011632

Exact Mass

238.14814146

InChI

InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2

InChIKey

KCZHNDKCJQKXCG-UHFFFAOYSA-N

Canonic Smiles

OCCN1CCN(CC1)Cc1ccc(cc1)F

Isomeric Smiles

c1(ccc(cc1)CN1CCN(CC1)CCO)F

JChem

Acid pKa

15.593098

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2590007

LogD (pH = 7.4)

0.5060195

Log P

1.2143621

Molar Refractivity

67.1595

Polarizability

25.811167

Polar Surface Area

26.71

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

693807

IUPAC Traditional name

2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethanol

Synonyms

1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine 97%2-[4-(4-fluorobenzyl)piperazino]ethan-1-ol1-(4-氟苄基)-4-(2-羟乙基)哌嗪1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine4-(4-Fluorobenzyl)-1-piperazineethanol

IUPAC name

2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol

MDL Number

MFCD00203973

CAS Number

174561-11-6

PubChem SID

160972903

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

Storage Warning

Irritant

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

36/37/38

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Irritant (Xi)

26-37

H315-H319-H335

Physical Property

55-56°C

Product Information

97%

No Data Available

Click here to submit data

No Data Available

Click here to submit data

暂无数据

点击上传数据

No Data Available

Click here to submit data

Academic Data

PubChem

693807

IUPAC Traditional name

2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethanol

Synonyms

IUPAC name

2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol

MDL Number

MFCD00203973

CAS Number

174561-11-6

PubChem SID

160972903

No Data Available

Click here to submit data

Safety Information

MSDS Link

Download link

TSCA Listed

false

否

Storage Warning

Irritant

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

36/37/38

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Irritant (Xi)

26-37

H315-H319-H335

Physical Property

55-56°C

Product Information

97%

Molecule

ID:9596