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CAS No.: | 99614-70-7 |
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Name: | Carbazol-4-one hydrochloride |
Molecular Structure: | |
Formula: | C16H21ClN2O |
Molecular Weight: | 292.809 |
Synonyms: | 1,2,3,9-Tetrahydro-9-methyl-3-[(2-methylamino)methyl]-4H-carbazol-4-one; |
Boiling Point: | 443.6 °C at 760 mmHg |
Flash Point: | 222.1 °C |
PSA: | 29.43000 |
LogP: | 0.73090 |
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The CAS register number of Carbazol-4-one hydrochloride is 99614-70-7. It also can be called as 1,2,3,9-Tetrahydro-9-methyl-3-[(2-methylamino)methyl]-4H-carbazol-4-one and the systematic name about this chemical is 3-[(dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride (1:1). The molecular formula about this chemical is C16H20N2O.HCl and the molecular weight is 292.81.
Physical properties about carbazol-4-one hydrochloride are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 16; (7)#H bond acceptors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.24Å2; (10)Enthalpy of Vaporization: 71.47 kJ/mol; (11)Boiling Point: 443.6 °C at 760 mmHg; (12)Vapour Pressure: 2.84E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CN(C)CC3CCc2c(c1ccccc1n2C)C3=O
(2)InChI: InChI=1/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H
(3)InChIKey: GFQLILQFQHMEPF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H
(5)Std. InChIKey: GFQLILQFQHMEPF-UHFFFAOYSA-N