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N-(3-Aminopropyl)imidazole

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Name

N-(3-Aminopropyl)imidazole

EINECS 225-730-9
CAS No. 5036-48-6 Density 1.11 g/cm3
PSA 43.84000 LogP 0.93220
Solubility miscible with water Melting Point -68 °C
Formula C6H11N3 Boiling Point 287.6 °C at 760 mmHg
Molecular Weight 125.173 Flash Point 127.8 °C
Transport Information UN 3267 8/PG 2 Appearance clear colorless liquid
Safety 26-27-36/37/39-45 Risk Codes 34-22
Molecular Structure Molecular Structure of 5036-48-6 (N-(3-Aminopropyl)-imidazole) Hazard Symbols IrritantXi
Synonyms

Imidazole,1-(3-aminopropyl)- (7CI,8CI);1-(3-Aminopropyl)imidazole;3-(1-Imidazolyl)propylamine;3-(1H-1-Imidazolyl)-1-propanamine;3-(Imidazol-1-yl)propylamine;Lupragen API;N-[3-(1H-Imidazol-1-yl)propyl]amine;PC CAT API;1H-Imidazole-1-propanamine;

Article Data 22

N-(3-Aminopropyl)imidazole Specification

The N-(3-Aminopropyl)imidazole is an organic compound with the formula C6H11N3. The IUPAC name of this chemical is 3-imidazol-1-ylpropan-1-amine. With the CAS registry number 5036-48-6 and EINECS 225-730-9, it is also named as 1-(3-Aminopropyl)imidazole. The product's categories are Heterocycles Series; Building Blocks; Heterocyclic Building Blocks; Imidazoles. It is clear colorless liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container, avoided direct sunshine and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.46; (4)ACD/LogD (pH 7.4): -2.56; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 36.56 cm3; (15)Molar Volume: 112.6 cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Enthalpy of Vaporization: 52.68 kJ/mol; (18)Vapour Pressure: 0.00245 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 125.095297; (21)MonoIsotopic Mass: 125.095297; (22)Topological Polar Surface Area: 43.8; (23)Heavy Atom Count: 9; (24)Complexity: 74.7.

Uses of N-(3-Aminopropyl)imidazole: It can react with furan-2-carbonyl chloride to get furan-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide. This reaction needs reagent 1N aq. NaOH and solvent CH2Cl2. The yield is 46%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:n1ccn(c1)CCCN
2. InChI:InChI=1/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2 
3. InChIKey:KDHWOCLBMVSZPG-UHFFFAOYAG

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