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4918-06-3

Benzeneacetonitrile, a-[(phenylmethyl)amino]-, monohydrochloride, also known as α-[(phenylmethyl)amino]benzeneacetonitrile monohydrochloride, is a chemical compound with the molecular formula C14H14N2.HCl. It is a derivative of benzeneacetonitrile, featuring a phenylmethyl group attached to the nitrogen atom, which is further connected to a benzene ring. Benzeneacetonitrile, a-[(phenylmethyl)amino]-, monohydrochloride is a white crystalline solid and is soluble in water. It is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of certain antibiotics and antifungal agents. The monohydrochloride salt form enhances its solubility and stability, making it a preferred form for industrial applications.

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  • 4918-06-3 Structure

  • Basic information

    1. Product Name: Benzeneacetonitrile, a-[(phenylmethyl)amino]-, monohydrochloride
    2. Synonyms:
    3. CAS NO:4918-06-3
    4. Molecular Formula: C15H14N2.ClH
    5. Molecular Weight: 258.75
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4918-06-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzeneacetonitrile, a-[(phenylmethyl)amino]-, monohydrochloride(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzeneacetonitrile, a-[(phenylmethyl)amino]-, monohydrochloride(4918-06-3)
    11. EPA Substance Registry System: Benzeneacetonitrile, a-[(phenylmethyl)amino]-, monohydrochloride(4918-06-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4918-06-3(Hazardous Substances Data)

4918-06-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4918-06-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,9,1 and 8 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4918-06:
(6*4)+(5*9)+(4*1)+(3*8)+(2*0)+(1*6)=103
103 % 10 = 3
So 4918-06-3 is a valid CAS Registry Number.

4918-06-3Relevant articles and documents

A Model for Metabolic Activation of Dialkylnitrosoamines. Oxidative Dealkylation 2-(N-Nitrosoalkylamino)acetonitriles by a Flavin Mimic in Aqueous Solution

Yano, Yumihiko,Yokoyama, Takeshi,Ikuta, Masato,Yoshida, Kitaro

, p. 5606 - 5610 (1987)

It is found for the first time that a flavin mimic, benzodipteridine (BDP), reacts with 2-(N-nitrosoalkylamino)acetonitriles via oxidative dealkylation to yield the corresponding alcohols (ROH) and the 2-e-reduced BDP in aqueous acetonitrile.Kinetic studies reveal that the rates are first order with respect to and ->, respectively.Kinetic isotope effects (kH/kD) for RN(NO)CD2CN (R = Me, n-Bu, Ph, and PhCH2) are found to be 2.2-4.2, indicating that deprotonation is involved in the rate-determining step.The mechanism of the oxidative dealkylation of the nitrosoamines by the flavin mimic is discussed.

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