o-Methyl-N,N′-diisopropylisourea - ≥98% , CAS No.54648-79-2

CAS: 54648-79-2 Cat. No.: O341192 Peso molecular: 158.24 Número EC: 259-275-2

COA

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o-Methyl-N,N′-diisopropylisourea - ≥98% CAS No(54648-79-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Application

o-Methyl-N,N′-diisopropylisourea was used in the synthesis of proline betaine (stahydrine) and 4-hydroxyproline betaine (betoncine).

Specifications

Sinónimos

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid	504758613
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758613
Sonrisas canónicas	CC(C)NC(=NC(C)C)OC
IUPAC Name	methyl N,N'-di(propan-2-yl)carbamimidate
InChIKey	PUVRRPLSJKDMKH-UHFFFAOYSA-N
INCHI	1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
Isómeros SMILES	CC(C)NC(=NC(C)C)OC
WGK Alemania	3
Número ONU	1993
Grupo de embalaje	III
Peso molecular	158.24
Reaxy-Rn	1753052
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753052&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Clase Carboximidic acids and derivatives
    - Subclass Carboximidic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Carboximidic acids and derivatives
Subclass	Carboximidic acids
Intermediate Tree Nodes	Not available
Direct Parent	Isoureas
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
Descripción	This compound belongs to the class of organic compounds known as isoureas. These are organic compounds containing the isourea group, with the general structure R1N(R2)C(=NR3)OR4, or its hydrocarbyl derivatives (R1,R2,R3,R4=H, alkyl, aryl).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
C2315514	Certificate of Analysis	Dec 10, 2025	O341192
C2315582	Certificate of Analysis	Dec 10, 2025	O341192

Sensibilidad	Moisture sensitive;Heat sensitive
Índice de refracción	1.44
Punto de inflamación (°F)	95 °F
Punto de inflamación (°C)	35 °C
Punto de ebullición (°C)	50-52° C (lit.) at 0.1 mmHg
Peso molecular	158.240 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	158.142 Da
Monoisotopic Mass	158.142 Da
Topological Polar Surface Area	33.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1