N-Methylcarbamimidic acid

Basic Information

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CAS Number

598-50-5

Molecular Formula

C2H6N2O

Molecular Weight

74.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

96.0 to 102.0 deg-C

Boiling Point

373.9℃ at 760mmHg

Water Solubility

1000 g/L (20 ºC)

Flash Point

23.1 °C

Solubility

1000g/l (Lit.)

Refractive Index

1.4264 (estimate)

SMILES

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CNC(=O)N

InChI

InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)

InChIKey

XGEGHDBEHXKFPX-UHFFFAOYSA-N

LogP

-0.7155

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

42.9

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

Synonyms & References

English

AKOS000120665
A832503
598-50-5
AI3-15088
CHEBI:44383
STR01326
InChI=1/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5
METHYLUREA-D6
AC8061
J-505015
Q5476523
Methylharnstoff [German]
methylisourea
Methylharnstoff
Urea, methyl-
CH3NHCONH2
bmse000738
urea, N-methyl-
3-methyl-urea
VZ89YBW3P8
EINECS 209-935-0
1-Methylurea
N-Methylurea, Vetec(TM) reagent grade, 97%
N-Methylurea
EC 209-935-0
SY018863
NS00006191
N-Methylurea, 97%
Z56932989
AMY40217
CS-W016687

MDL Number

MFCD00007950

Customs Code

29241900

FAQ

What are the physical and chemical properties of N-Methylcarbamimidic acid (CAS: 598-50-5)?

N-Methylcarbamimidic acid (CAS: 598-50-5) is a colorless crystalline solid with a molecular weight of approximately 103.11 g/mol. It has a pKa of around 2.6 and is slightly soluble in water. Chemically, it is highly reactive, particularly with amines and alcohols. It is used in organic synthesis due to its ability to participate in various nucleophilic substitution reactions.

How is N-Methylcarbamimidic acid (CAS: 598-50-5) typically synthesized?

N-Methylcarbamimidic acid can be synthesized by the reaction of methyl isocyanate with ammonia, followed by hydrolysis. This process is typically carried out under controlled conditions to ensure selectivity and high yield, often using a catalytic system to improve efficiency.

What industries use N-Methylcarbamimidic acid (CAS: 598-50-5)?

N-Methylcarbamimidic acid (CAS: 598-50-5) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the polymer industry for the production of certain polymers, and in the chemical industry for organic synthesis and as a reagent in analytical chemistry.

What precautions should be taken when handling N-Methylcarbamimidic acid (CAS: 598-50-5)?

When handling N-Methylcarbamimidic acid (CAS: 598-50-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.