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CAS No.: | 6498-34-6 |
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Name: | CYCLOHEXYLHYDRAZINE |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C6H14N2 |
Molecular Weight: | 114.191 |
Synonyms: | Cyclohexylhydrazine;Hydrazine, cyclohexyl-;Benzenepropanoic acid, b-(aminomethyl)-; |
EINECS: | 229-378-7 |
Density: | 0.94 g/cm3 |
Melting Point: | 46-50℃ |
Boiling Point: | 210.9 °C at 760mmHg |
Flash Point: | 91.7 °C |
PSA: | 38.05000 |
LogP: | 1.87360 |
The IUPAC name of this chemical is cyclohexylhydrazine. With the CAS registry number 6498-34-6 and EINECS 229-378-7, it is also named as Hydrazine, cyclohexyl-. The formula is C6H14N2 and the molecular weight is 114.19.
The other characteristics of Cyclohexyl hydrazine can be summarized as: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): 0.15; (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): 11.54; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 35.03 cm3; (14)Molar Volume: 121.2 cm3; (15)Polarizability: 13.88×10-24 cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Enthalpy of Vaporization: 44.72 kJ/mol; (18)Boiling Point: 210.9 °C at 760 mmHg; (19)Vapour Pressure: 0.188 mmHg at 25°C; (20)Rotatable Bond Count: 1; (21)Exact Mass: 114.115698; (22)MonoIsotopic Mass: 114.115698; (23)Topological Polar Surface Area: 38; (24)Heavy Atom Count: 8; (25)Complexity: 57.5.
People can use the following data to convert to the molecule structure.
1. SMILES:NNC1CCCCC1
2. InChI:InChI=1/C6H14N2/c7-8-6-4-2-1-3-5-6/h6,8H,1-5,7H2
3. InChIKey:LHQRDAIAWDPZGH-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C6H14N2/c7-8-6-4-2-1-3-5-6/h6,8H,1-5,7H2
5. Std. InChIKey:LHQRDAIAWDPZGH-UHFFFAOYSA-N