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| CAS No.: | 17513-09-6 |
|---|---|
| Name: | N'-CYANOBENZENECARBOXIMIDAMIDE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | Benzamidine,N-cyano- (7CI,8CI);Cyanamide, (aminophenylmethylene)-;N-Cyanobenzamidine;NSC113532;N'-Cyanobenzamidine; |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 278.7 °C at 760 mmHg |
| Flash Point: | 122.4 °C |
| PSA: | 62.17000 |
| LogP: | 1.57328 |
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Specification
This chemical is called Benzenecarboximidamide, N-cyano-, and its systematic name is N'-cyanobenzenecarboximidamide. With the molecular formula of C8H7N3, its molecular weight is 145.16. The CAS registry number of this chemical is 17513-09-6. Additionally, its product category is Phenyls & Phenyl-Het.
Other characteristics of the Benzenecarboximidamide, N-cyano- can be summarised as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1.76; (7)ACD/KOC (pH 5.5): 52.2; (8)ACD/KOC (pH 7.4): 52.2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.39 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 43.74 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 17.34×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 122.4 °C; (20)Enthalpy of Vaporization: 51.74 kJ/mol; (21)Boiling Point: 278.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00419 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#C\N=C(/N)c1ccccc1
2.InChI: InChI=1/C8H7N3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,(H2,10,11)
3.InChIKey: JEWFJQWVHWGHOQ-UHFFFAOYAP