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885266-96-6

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Basic Information
CAS No.: 885266-96-6
Name: 2-(Cyclopropylamino)-5-bromopyridine
Molecular Structure:
Molecular Structure of 885266-96-6 (2-(Cyclopropylamino)-5-bromopyridine)
Formula: C8H9BrN2
Molecular Weight: 213.07446
Synonyms: 5-Bromo-2-cyclopropylaminopyridine;5-Bromo-N-cyclopropyl-2-pyridinamine
Density: 1.669 g/cm3
Boiling Point: 292.8 °C at 760 mmHg
Flash Point: 130.9 °C
PSA: 24.92000
LogP: 2.49140
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Specification

The N-(hydroxymethyl)carbaryl is an organic compound with the formula C8H9BrN2. The IUPAC name of this chemical is 5-bromo-N-cyclopropylpyridin-2-amine. In addition, the CAS registry number is 885266-96-6 and the molecular weight is 213.07446. Besides, this chemical should be stored at the room temperature.

The other characteristics of N-(hydroxymethyl)carbaryl can be summarized as: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 84.9; (6)ACD/BCF (pH 7.4): 87.29; (7)ACD/KOC (pH 5.5): 829.53; (8)ACD/KOC (pH 7.4): 852.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 24.92 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 48.84 cm3; (15)Molar Volume: 127.5 cm3; (16)Surface Tension: 62 dyne/cm; (17)Enthalpy of Vaporization: 53.24 kJ/mol; (18)Vapour Pressure: 0.00179 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 211.994911; (22)MonoIsotopic Mass: 211.994911; (23)Topological Polar Surface Area: 24.9; (24)Heavy Atom Count: 11; (25)Complexity: 136.

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc2cnc(NC1CC1)cc2
2. InChI:InChI=1/C8H9BrN2/c9-6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,11)
3. InChIKey:ITKZPCOJFUVIQO-UHFFFAOYAB
4. Std. InChI:InChI=1S/C8H9BrN2/c9-6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,11)
5. Std. InChIKey:ITKZPCOJFUVIQO-UHFFFAOYSA-N