ChemicalBook--->CAS DataBase List--->54648-79-2

54648-79-2

54648-79-2 Structure

54648-79-2 Structure
IdentificationBack Directory
[Name]

O-METHYL-N,N'-DIISOPROPYLISOUREA
[CAS]

54648-79-2
[Synonyms]

1,3-Diisopropyl-2-methylisourea
O-METHYL-N,N'-DIISOPROPYLISOUREA
N,N'-DIISOPROPYL-O-METHYLISOUREA
N,N'-Diisopropyl-O-methylisourea >
Methyl N,N'-Diisopropylcarbamimidate
(Z)-Methyl N,N'-diisopropylcarbamimidate
methyl N,N'-di(propan-2-yl)carbamimidate
N,N'-Diisopropylcarbamimidic Acid Methyl Ester
CarbaMiMidic acid, N,N'-bis(1-Methylethyl)-, Methyl ester
[EINECS(EC#)]

259-275-2
[Molecular Formula]

C8H18N2O
[MDL Number]

MFCD00008866
[MOL File]

54648-79-2.mol
[Molecular Weight]

158.24
Chemical PropertiesBack Directory
[Boiling point ]

50-52 °C10 mm Hg
[density ]

0.872 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.436
[Fp ]

96 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

9.85±0.50(Predicted)
[color ]

Colorless to Almost colorless
[BRN ]

1753052
[InChI]

InChI=1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
[InChIKey]

PUVRRPLSJKDMKH-UHFFFAOYSA-N
[SMILES]

C(=NC(C)C)(OC)NC(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Risk Statements ]

10
[Safety Statements ]

23-24/25
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[F ]

10-21
[HS Code ]

2925.29.9000
[HazardClass ]

3.2
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Uses]

o-Methyl-N,N′-diisopropylisourea was used in the synthesis of proline betaine (stahydrine) and 4-hydroxyproline betaine (betoncine).
Spectrum DetailBack Directory
[Spectrum Detail]

O-METHYL-N,N'-DIISOPROPYLISOUREA(54648-79-2)MS
O-METHYL-N,N'-DIISOPROPYLISOUREA(54648-79-2)1HNMR
O-METHYL-N,N'-DIISOPROPYLISOUREA(54648-79-2)IR1
O-METHYL-N,N'-DIISOPROPYLISOUREA(54648-79-2)Raman
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