Products Categories
CAS No.: | 62732-44-9 |
---|---|
Name: | 2,3,5,6,7,8-HEXAHYDRO-1H-CYCLOPENTA[B]QUINOLIN-9-YLAMINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H16N2 |
Molecular Weight: | 188.272 |
Synonyms: | Neuromidine;2, 3, 5, 6, 7, 8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine; |
EINECS: | 676-166-9 |
Density: | 1.17 g/cm3 |
Melting Point: | 202-203 °C(Solv: methanol (67-56-1); water (7732-18-5)) |
Boiling Point: | 367.969 °C at 760 mmHg |
Flash Point: | 203.991 °C |
Hazard Symbols: | Xi |
PSA: | 38.91000 |
LogP: | 2.61250 |
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; ethanol; water; cyclohexanone; toluene | 91% |
4'-Oxo-spiropyrimidin>
NIK247
Conditions | Yield |
---|---|
With trichlorophosphate In toluene for 24h; Heating; | 79% |
With trichlorophosphate In toluene for 24h; Mechanism; Heating; other time; various ratio POCl3/educt; | 79% |
Conditions | Yield |
---|---|
With zinc(II) chloride In xylene Heating; |
NIK247
methyl iodide
Conditions | Yield |
---|---|
In methanol at 40℃; | 92% |
NIK247
chloroacetyl chloride
Conditions | Yield |
---|---|
In chloroform at 0℃; for 1h; Reflux; | 2 g |
NIK247
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform / 1 h / 0 °C / Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 1 h / 150 °C View Scheme |
NIK247
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform / 1 h / 0 °C / Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 1 h / 150 °C View Scheme |
NIK247
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform / 1 h / 0 °C / Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 1150 °C View Scheme |
NIK247
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform / 1 h / 0 °C / Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 1 h / 150 °C View Scheme |
NIK247
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform / 1 h / 0 °C / Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 1 h / 150 °C View Scheme |
What can I do for you?
Get Best Price
The Ipidacrine, with the CAS registry number 62732-44-9, is also known as 2, 3, 5, 6, 7, 8-Hexahydro-1H-cyclopenta[b]quinolin-9-ylamine. This chemical's molecular formula is C12H16N2 and molecular weight is 188.27. What's more, its IUPAC name is 2, 3, 5, 6, 7, 8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine. This chemical’s classification code is Drug / Therapeutic Agent. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Ipidacrine are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 38.91 Å2; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 57.541 cm3; (13)Molar Volume: 160.858 cm3; (14)Polarizability: 22.811×10-24 cm3; (15)Surface Tension: 55.844 dyne/cm; (16)Density: 1.17 g/cm3; (17)Flash Point: 203.991 °C; (18)Enthalpy of Vaporization: 61.457 kJ/mol; (19)Boiling Point: 367.969 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CCc2c(c(c3c(n2)CCC3)N)C1
(2) InChI: InChI=1/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
(3) InChIKey: YLUSMKAJIQOXPV-UHFFFAOYAA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 39mg/kg (39mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Pharmaceutical Chemistry Journal Vol. 11, Pg. 184, 1977. |
mouse | LD50 | subcutaneous | 52mg/kg (52mg/kg) | Pharmaceutical Chemistry Journal Vol. 23, Pg. 709, 1989. |