Basic information
- Name:
1H-Inden-1-amine,2,3-dihydro-, hydrochloride (1:1)
- Superlist Name:
- 1-Aminoindane hydrochloride
- CAS No.:
70146-15-5
- Molecular Structure:
- Formula:
- C9H11N.HCl
- Molecular Weight:
- 169.65
- Synonyms:
- 1-Indanamine,hydrochloride (6CI,7CI);1H-Inden-1-amine, 2,3-dihydro-, hydrochloride (9CI);1-Aminoindan hydrochloride;NSC 186227;
- Melting Point:
- 206-210 °C
- Boiling Point:
- 225 °C at 760 mmHg
- Flash Point:
- 94.4 °C
- Hazard Symbols:
Xi
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Specification
The 1H-Inden-1-amine,2,3-dihydro-, hydrochloride (1:1) is an organic compound with the formula C9H11N.HCl. The systematic name of this chemical is 2,3-dihydro-1H-inden-1-amine hydrochloride. With the CAS registry number 70146-15-5, it is also named as 1-Aminoindane hydrochloride. The product's category is APIs Intermediate. In addition, the molecular weight is 169.65.
The other characteristics of 1H-Inden-1-amine,2,3-dihydro-, hydrochloride (1:1) can be summarized as: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -0.48; (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): 1.45; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 94.4 °C; (14)Enthalpy of Vaporization: 46.15 kJ/mol; (15)Boiling Point: 225 °C at 760 mmHg; (16)Vapour Pressure: 0.0886 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.c1cccc2c1CCC2N
2. InChI:InChI=1/C9H11N.ClH/c10-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
3. InChIKey:RHAAGWRBIVCBSY-UHFFFAOYAX
4. Std. InChI:InChI=1S/C9H11N.ClH/c10-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
5. Std. InChIKey:RHAAGWRBIVCBSY-UHFFFAOYSA-N
