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CAS No.: | 59855-11-7 |
---|---|
Name: | 4-AMIDINOBENZAMIDE HYDROCHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H10ClN3O |
Molecular Weight: | 199.64 |
Synonyms: | 4-[Amino(imino)methyl]benzamide hydrochloride; |
EINECS: | 621-238-7 |
Melting Point: | 302-303 °C |
Boiling Point: | 350.3 °C at 760 mmHg |
Flash Point: | 165.6 °C |
Solubility: | H2O: 20 mg/mL, clear, colorless |
Appearance: | white fine powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37 |
PSA: | 92.96000 |
LogP: | 2.37190 |
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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%.
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