5-Carbamimidamido-2-oxopentanoic acid

Basic Information

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CAS Number

14191-95-8

Molecular Formula

C6H11N3O3

Molecular Weight

133.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Physical State

Powder

Melting Point

68.0 to 74.0 deg-C

Boiling Point

150°C/1mmHg

Flash Point

178 ºC

Refractive Index

1.5260 (estimate)

SMILES

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C1=CC(=CC=C1CC#N)O

InChI

InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)

InChIKey

ARBHXJXXVVHMET-UHFFFAOYSA-N

LogP

1.45828

Complexity

139

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-(hydroxy)phenyl acetonitrile
H0657
FT-0618736
4-(Cyanomethyl)phenol
BRN 1934470
(4-hydroxy-phenyl)-acetonitrile
para-hydroxybenzyl cyanide
DTXSID90161856
EN300-18729
14191-95-8
ACETIC ACID,(4-HYDROXYPHENYL),NITRILE 4-HYDROXY-BENZYLCYANIDE
UNII-18Q5J224RM
InChI=1/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H
Q27102019
4-Hydroxyphenylacetonitrile, 98%
4-Hydroxybenzeneacetonitrile
2-(4-hydroxyphenyl)acetonitrile
HMS1786P20
Acetonitrile, (p-hydroxyphenyl)-
C03766
4-Hydroxyphenylacetonitrile
4-Hydroxyphenylacetic acid nitrile
PS-4572
3AQ
4-10-00-00554 (Beilstein Handbook Reference)
AKOS000121408
alpha-cyano-p-cresol
7898C7A4-5D46-437F-8474-B1E83F66AFE5
Z90120144
FT-0618737
(4-Hydroxyphenyl)acetonitrile

MDL Number

MFCD00002383

Customs Code

2926909090

FAQ

What is 5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8)?

5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8) is a complex organic compound with the molecular formula C7H14N2O4. It contains a carbamimidamido group and a ketone functional group, making it a versatile intermediate in chemical synthesis. This compound is known for its stability in controlled environments and is commonly used in pharmaceutical and industrial applications due to its reactivity and structural adaptability.

What are the main uses of 5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8)?

5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8) is primarily used in pharmaceutical research as a building block for drug development, particularly in synthesizing bioactive molecules. It also serves as an industrial reagent in polymer chemistry and organic synthesis. Additionally, it may find applications in biochemical studies due to its functional groups, which can participate in various chemical reactions. Its utility stems from its unique structure and reactivity in chemical processes.

Is 5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8) safe?

5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8) is generally considered safe when handled properly, but it requires adherence to standard chemical safety protocols. Precautions include wearing appropriate PPE, avoiding inhalation or skin contact, and ensuring proper ventilation. While it is not classified as highly toxic, its safety profile should be evaluated based on specific exposure conditions and regulatory standards such as OSHA or EPA guidelines.

How should 5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8) be stored?

5-Carbamimidamido-2-oxopentanoic acid (CAS: 14191-95-8) should be stored in a cool, dry place away from light, ideally at temperatures below 25°C. Maintain humidity levels below 60% and use a sealed, airtight container to prevent degradation. It is stable under standard storage conditions but should be kept in a well-ventilated area to avoid potential chemical interactions. Always follow manufacturer guidelines for long-term storage.