1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride

Basic Information

View in Editor

CAS Number

637-32-1

Molecular Formula

C11H17Cl2N5

Molecular Weight

290.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

249-2510C

Boiling Point

402.7°C at 760 mmHg

Flash Point

197.4°C

Solubility

acetonitrile: water: ~1mg/mL (60/40)

SMILES

View in Editor

CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl

InChI

InChI=1S/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H

InChIKey

SARMGXPVOFNNNG-UHFFFAOYSA-N

LogP

2.63084

Topological Polar Surface Area

83.79 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

292

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 orally in rats: 200 mg/kg (Schmidt)

Synonyms & References

English

NSC 12977
Pharmakon1600-01504211
Proguanil hydrochloride, United States Pharmacopeia (USP) Reference Standard
1-(P-CHLOROPHENYL)-5-ISOPROPYLBIGUANIDE MONOHYDROCHLORIDE
N1-(4-Chlorophenyl)-N5-isopropylbiguanide
PROGUANILI HYDROCHLORIDUM [WHO-IP LATIN]
Proguanil hydrochloride, >=95% (HPLC)
NSC-758688
NSC 26614
PROGUANIL HYDROCHLORIDE [USP-RS]
NCGC00016528-01
CHLORGUANIDE HYDROCHLORIDE [MI]
Chloroguanidine hydrochloride
Proguanil for system suitability, European Pharmacopoeia (EP) Reference Standard
Paludrine
MALARONE PEDIATRIC COMPONENT PROGUANIL HYDROCHLORIDE
PROGUANILHYDROCHLORIDE
Proguanil hydrochloride, European Pharmacopoeia (EP) Reference Standard
PROGUANIL HYDROCHLORIDE [JAN]
Proguanil for system suitability
Z1558572526
Tox21_110476
1-(p-Chlorophenyl)-5-isopropylbiguanide hydrochloride
Drinupal
Diguanyl
UNII-R71Y86M0WT
CCG-39555
Bigumalum
IMIDODICARBONIMIDIC DIAMIDE, N-(4-CHLOROPHENYL)-N'-(1-METHYLETHYL)-, HYDROCHLORIDE (1:1)
DTXSID7047776
Drinupal hydrochloride

MDL Number

MFCD01732193

FAQ

What are the physical and chemical properties of 1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride (CAS: 637-32-1)?

1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride is a white, crystalline solid. It has a molecular weight of approximately 325.73 g/mol. This compound is slightly soluble in water and has low volatility. It is relatively stable under normal conditions but can react with bases to form the corresponding amide. It is not flammable and does not pose a significant health risk unless ingested or inhaled in large quantities.

How is 1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride (CAS: 637-32-1) typically synthesized?

1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride can be synthesized through multi-step organic synthesis involving reactions such as nucleophilic substitution, amidation, and hydrolysis. Commonly, 4-chlorobenzoyl chloride is reacted with 2-propanamine to form the intermediate, which is then treated with a carbamoyl chloride to give the final product. This synthesis typically uses anhydrous conditions and suitable catalysts to enhance the reaction yield and selectivity.

What industries use 1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride (CAS: 637-32-1)?

1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride is used in pharmaceuticals and research for its specific chemical properties. It may also find applications in the development of new materials such as polymers and sensors due to its unique molecular structure. The compound can be used in the semiconductor industry for specific processing steps, although it is less common compared to its use in pharmaceutical research.

What precautions should be taken when handling 1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride (CAS: 637-32-1)?

When handling 1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride (CAS: 637-32-1), it is important to wear appropriate PPE, including gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or fume hood due to its potential to release vapors. In case of a spill, immediately clean it up with a suitable absorbent material and dispose of it according to local waste regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.