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Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1)

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Name

Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1)

EINECS 621-238-7
CAS No. 59855-11-7 Density N/A
PSA 92.96000 LogP 2.37190
Solubility H2O: 20 mg/mL, clear, colorless Melting Point 302-303 °C
Formula C8H10ClN3O Boiling Point 350.3 °C at 760 mmHg
Molecular Weight 199.64 Flash Point 165.6 °C
Transport Information N/A Appearance white fine powder
Safety 37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 59855-11-7 (4-AMIDINOBENZAMIDE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

4-[Amino(imino)methyl]benzamide hydrochloride;

Article Data 2

Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1) Specification

The Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1), with the CAS registry number 59855-11-7, is also known as 4-[Amino(imino)methyl]benzamide hydrochloride. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H10ClN3O and molecular weight is 199.64. What's more, its IUPAC name is 4-Carbamimidoylbenzamide hydrochloride. 

Physical properties of Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1) are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -2.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.91 Å2; (13)Flash Point: 165.6 °C; (14)Enthalpy of Vaporization: 59.48 kJ/mol; (15)Boiling Point: 350.3 °C at 760 mmHg; (16)Vapour Pressure: 4.45E-05 mmHg at 25°C.

Uses of Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1): it can be used to produce 2,4-bis[(4-carbamoyl)phenyl]-1,3,5-triazine at the temperature 190°C. The reaction time is 16 hours. The yield is about 98%.

Benzamide,4-(aminoiminomethyl)-, hydrochloride (1:1) can be used to produce 2,4-bis[(4-carbamoyl)phenyl]-1,3,5-triazine at the temperature 190°C

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. When using it, you need wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1ccc(C(=[N@H])N)cc1.Cl
(2)Std. InChI: InChI=1S/C8H9N3O.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H2,11,12);1H
(3)Std. InChIKey: IYIAWOSYBLPUNL-UHFFFAOYSA-N

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