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CAS No.: | 103956-09-8 |
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Name: | 3,4-DIAMINOBENZHYDRAZIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H10N4O |
Molecular Weight: | 166.183 |
Synonyms: | 3,4-Diaminobenzhydrazide; |
Density: | 1.367 g/cm3 |
Melting Point: | 157-161 °C(lit.) |
Solubility: | slightly soluble in water |
Appearance: | brown solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 107.16000 |
LogP: | 1.70810 |
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The Benzoic acid,3,4-diamino-, hydrazide is an organic compound with the formula C7H10N4O. The IUPAC name of thsi chemical is 3,4-diaminobenzohydrazide and CAS registry number is 103956-09-8. The product's categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Carbonyl Compounds; Hydrazides; Organic Building Blocks. It is brown solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of Benzoic acid,3,4-diamino-, hydrazide can be summarized as: (1)ACD/LogP: -1.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.42; (8)ACD/KOC (pH 7.4): 3.47; (9)#H bond acceptors: 5; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 30.03 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 47.25 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 18.73×10-24 cm3; (17)Surface Tension: 78.1 dyne/cm; (18)Density: 1.367 g/cm3; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 14; (21)Exact Mass: 166.085461; (22)MonoIsotopic Mass: 166.085461; (23)Topological Polar Surface Area: 107; (24)Heavy Atom Count: 12; (25)Complexity: 173.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1cc(N)c(N)cc1)NN
2. InChI:InChI=1/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
3. InChIKey:YGCXQTYRSKMILM-UHFFFAOYAR