CAS 75336-86-6|(2R)-2-methylpiperazine|(2R)-2-methylpiperazine|(R)-2-Methylpiperazine|(R)-(-)-2-Methylpiperazine|(R)-(-)-2-Methylpiperazine|(R)-(-)-2-甲基哌嗪

Molecular Formula

C₅H₁₂N₂

Molecular Mass

100.16218

Exact Mass

100.10004839

InChI

InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m1/s1

InChIKey

JOMNTHCQHJPVAZ-RXMQYKEDSA-N

Canonic Smiles

C[C@@H]1CNCCN1

Isomeric Smiles

N1[C@@H](CNCC1)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.7167857

LogD (pH = 7.4)

-2.5283473

Log P

-0.3122318

Molar Refractivity

29.8676

Polarizability

12.272833

Polar Surface Area

24.06

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

7330434

IUPAC name

(2R)-2-methylpiperazine

Synonyms

(R)-2-Methylpiperazine(R)-(-)-2-Methylpiperazine(R)-(-)-2-Methylpiperazine(R)-(-)-2-甲基哌嗪

IUPAC Traditional name

(2R)-2-methylpiperazine

Beilstein Number

CAS Number

MDL Number

PubChem SID

Storage Warning

IRRITANT

Highly Flammable/Corrosive/Hygroscopic/Air Sensitive/Store under Argon

Air Sensitive & Hygroscopic

MSDS Link

Download link

false

否

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

11-36/37/38

11-34

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

P210-P261-P305+P351+P338

P210-P280-P303+P361+P353-P305+P351+P338-P310

H228-H315-H319-H335

H314-H318-H228-H303

UN 1325 4.1/PG 2

1325

UN2925

16-26-36/37/39

16-26-36/37/39-45

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

397164

Packaging
1 g in glass bottle
Application
Valuable synthon for quinoline antibacterials.1

From Data Sources

• Product of Toray Industries, Inc.

Academic Data

PubChem

7330434

IUPAC name

(2R)-2-methylpiperazine

Synonyms

(R)-2-Methylpiperazine(R)-(-)-2-Methylpiperazine(R)-(-)-2-Methylpiperazine(R)-(-)-2-甲基哌嗪

IUPAC Traditional name

(2R)-2-methylpiperazine

Beilstein Number

CAS Number

MDL Number

PubChem SID

397164

Packaging
1 g in glass bottle
Application
Valuable synthon for quinoline antibacterials.1

From Data Sources

• Product of Toray Industries, Inc.

Safety Information

Product Information

Physical Property

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Corrosive (C)

91-93 °C(lit.)

Optical Rotation

[α]20/D -16.5°, c = 5 in benzene

-7 (c=1 in ethanol)

Molecule

ID:68438