4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1)

Basic Information

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CAS Number

51-30-9

Molecular Formula

C11H18ClNO3

Molecular Weight

247.72 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

165-175?°C (dec.)

Boiling Point

417.5°C at 760 mmHg

Water Solubility

Soluble

Flash Point

179.7°C

Refractive Index

1.6000 (estimate)

SMILES

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CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl

InChI

InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H

InChIKey

IROWCYIEJAOFOW-UHFFFAOYSA-N

LogP

1.5509999999999997

Topological Polar Surface Area

72.72 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

187

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable, but may be air and light sensitive. Incompatible with strong oxidizing agents.

Synonyms & References

English

EU-0100711
component of Aerolone Compound
BCP23375
51-30-9
Isoprenaline hydrochloride (VAN)
NC00515
Benzenemethanol, 3,4-dihydroxy-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride, (+/-)-
C11H17NO3.HCl
ISOPROTERENOL HYDROCHLORIDE
ISOPRENALINE HYDROCHLORIDE [WHO-IP]
NCGC00094061-04
ISOPROTERENOL HYDROCHLORIDE [ORANGE BOOK]
Levisoprenaline (hydrochloride)
Isoprenaline hydrochloride, European Pharmacopoeia (EP) Reference Standard
Proternol-S (TN)
NCGC00094033-01
NSC757079
ISOPRENALINE HYDROCHLORIDE [MART.]
MLS001335893
DTXCID105486
SCHEMBL7627
Benzyl alcohol, 3,4-dihydroxy-.alpha.-[(isopropylamino)methyl]-, hydrochloride, (-)-
(.+-.)-Isoprenaline hydrochloride
D01390
4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]-1,2-benzenediol hydrochloride
1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride
HMS1920H13
ISOPRENALINE HYDROCHLORIDE [WHO-DD]
4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol hydrochloride
WLN: QR BQ DYQ1MY1&1 &GH
DTXSID6025486

MDL Number

MFCD00012603

FAQ

What is 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS: 51-30-9)?

4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS 51-30-9) is a chemical compound with the formula C12H18N2O5Cl2. It is a white crystalline solid, soluble in water, and commonly used as a pharmaceutical intermediate. The molecule features a resorcinol core with hydroxy and isopropylamino substituents, forming a hydrochloride salt for enhanced stability.

What are the main uses of 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS: 51-30-9)?

This compound (CAS 51-30-9) is primarily used in pharmaceuticals for drug development and as a precursor in synthesizing antifungal agents. It also finds applications in industrial chemistry as a corrosion inhibitor and in research for organic synthesis. Its unique structure makes it valuable in creating functional molecules with specific biological activities.

Is 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS: 51-30-9) safe?

4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS 51-30-9) requires careful handling due to its potential to cause skin and eye irritation. Safety measures include using gloves, goggles, and a fume hood. It is classified under standard chemical safety protocols, and adherence to OSHA guidelines is recommended. Always consult the safety data sheet (SDS) for detailed precautions.

How should 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS: 51-30-9) be stored?

Store 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol hydrochloride (1:1) (CAS 51-30-9) in a cool, dry, and light-protected place, ideally at 2-8°C. Keep in a sealed container to prevent moisture exposure. Avoid contact with incompatible materials and ensure proper ventilation. Stability is maintained under controlled storage conditions as specified by the manufacturer.