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CAS No.: | 618-39-3 |
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Name: | BENZAMIDINE |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C7H8N2 |
Molecular Weight: | 120.154 |
Synonyms: | Benzamidine(6CI,7CI,8CI);Benzenylamidine;NSC 243704;Phenylamidine; |
EINECS: | 210-546-3 |
Density: | 1.09 g/cm3 |
Melting Point: | 65-70 °C |
Boiling Point: | 208.5 °C at 760 mmHg |
Flash Point: | 79.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 49.87000 |
LogP: | 1.77070 |
This chemical is called Benzenecarboximidamide, and its CAS registry number is 618-39-3. With the molecular formula of C7H8N2, its product categories are Pharmacetical; Imines / Amidines; Nitrogen Compounds; Organic Building Blocks. In addition, this chemical should be sealed in the cool and dry place, away from oxides or light.
Other characteristics of the Benzenecarboximidamide can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -1.35; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 36.08 cm3; (15)Molar Volume: 109.9 cm3; (16)Polarizability: 14.3×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 79.9 °C; (20)Enthalpy of Vaporization: 44.48 kJ/mol; (21)Boiling Point: 208.5 °C at 760 mmHg; (22)Vapour Pressure: 0.213 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It's irritating to eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [N@H]=C(N)c1ccccc1
2.InChI: InChI=1/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
3.InChIKey: PXXJHWLDUBFPOL-UHFFFAOYAU