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CAS No.: | 2338-18-3 |
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Name: | 1H-Inden-2-amine,2,3-dihydro-, hydrochloride (1:1) |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H12ClN |
Molecular Weight: | 169.654 |
Synonyms: | 1H-Inden-2-amine,2,3-dihydro-, hydrochloride (9CI);2-Indanamine, hydrochloride (8CI);(2,3-Dihydro-1H-inden-2-yl)amine hydrochloride;2,3-Dihydro-1H-inden-2-aminehydrochloride;2-Amino-2,3-dihydro-1H-indene hydrochloride;2-Aminoindanhydrochloride;2-Aminoindan monohydrochloride;Indan-2-ylamine hydrochloride;SU 8629 hydrochloride; |
EINECS: | 219-048-0 |
Density: | 1.056 g/cm3 |
Melting Point: | 245-247 °C(lit.) |
Boiling Point: | 226.2 °C at 760 mmHg |
Flash Point: | 96.8 °C |
Appearance: | white solid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 22-24/25 |
PSA: | 26.02000 |
LogP: | 2.61480 |
The 2-Aminoindane hydrochloride, with the CAS registry number 2338-18-3, is also known as 1H-Inden-2-amine, 2,3-dihydro-, hydrochloride (9CI). Its EINECS registry number is 219-048-0. This chemical's molecular formula is C9H12ClN and molecular weight is 169.65. Its IUPAC name is called 2,3-dihydro-1H-inden-2-amine hydrochloride. This chemical's classification code is Drug / Therapeutic Agent. You should keep its container tightly closed in a cool, well-ventilated place. When you are using this chemical, please be cautious about it. This chemical may cause damage to health. It is harmful if swallowed. You should not breathe its dust. What's more, you must avoid contacting it with skin and eyes.
Physical properties of 2-Aminoindane hydrochloride: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): -1.25; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.45; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 96.8 °C; (12)Enthalpy of Vaporization: 46.27 kJ/mol; (13)Boiling Point: 226.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0831 mmHg at 25°C.
Preparation: this chemical can be prepared by indan-2-one oxime. This reaction will need reagent H2, HCl and solvent ethanol. The reaction time is 8 hours. The yield is about 44%.
Uses of 2-Aminoindane hydrochloride: it can be used to produce 2-indanylbiguanide at temperature of 160 °C. This reaction is a kind of Addition. The reaction time is 100 min. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(CC2=CC=CC=C21)N.Cl
(2)InChI: InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
(3)InChIKey: XEHNLVMHWYPNEQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | oral | 50mg/kg (50mg/kg) | BEHAVIORAL: ANALGESIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 133, Pg. 400, 1961. |
mouse | LD50 | intraperitoneal | 170mg/kg (170mg/kg) | BEHAVIORAL: ANALGESIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 133, Pg. 400, 1961. |
mouse | LD50 | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: ANALGESIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 133, Pg. 400, 1961. |
mouse | LD50 | subcutaneous | 158mg/kg (158mg/kg) | BEHAVIORAL: ANALGESIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 133, Pg. 400, 1961. |
rat | LD50 | intravenous | 36300ug/kg (36.3mg/kg) | Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963. | |
rat | LD50 | oral | 326mg/kg (326mg/kg) | Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963. |