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CAS No.: | 5351-24-6 |
---|---|
Name: | 4-ISOPROPYL-BENZOIC ACID HYDRAZIDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H14N2O |
Molecular Weight: | 178.234 |
Synonyms: | Benzoicacid, p-isopropyl-, hydrazide (6CI);(p-Isopropylbenzoyl)hydrazine;NSC 648;p-Isopropylbenzoic acid hydrazide;4-(Propan-2-yl)benzohydrazide;4-Isopropyl-benzoic acid hydrazide; |
Density: | 1.067 g/cm3 |
Melting Point: | 91-92 °C(Solv: benzene (71-43-2); hexane (110-54-3)) |
Hazard Symbols: | Xi |
PSA: | 55.12000 |
LogP: | 2.50470 |
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The Benzoic acid,4-(1-methylethyl)-, hydrazide, with the CAS registry number 5351-24-6, is also known as 4-Isopropyl-benzoic acid hydrazide. This chemical's molecular formula is C10H14N2O and molecular weight is 178.23. What's more, its systematic name is 4-(Propan-2-yl)benzohydrazide.
Physical properties of Benzoic acid,4-(1-methylethyl)-, hydrazide are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.4; (6)ACD/BCF (pH 7.4): 9.44; (7)ACD/KOC (pH 5.5): 172.81; (8)ACD/KOC (pH 7.4): 173.56; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 52.96 cm3; (15)Molar Volume: 167 cm3; (16)Polarizability: 20.99×10-24 cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.067 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC=C(C=C1)C(=O)NN
(2)InChI: InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)10(13)12-11/h3-7H,11H2,1-2H3,(H,12,13)
(3)InChIKey: ZRVXDEFJKAAGGH-UHFFFAOYSA-N