CAS No.5036-48-6,N-(3-Aminopropyl)-imidazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5036-48-6
Name:	N-(3-Aminopropyl)-imidazole
Article Data:	22

Formula:	C₆H₁₁N₃
Molecular Weight:	125.173
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;
EINECS:	225-730-9
Density:	1.11 g/cm³
Melting Point:	-68 °C
Boiling Point:	287.6 °C at 760 mmHg
Flash Point:	127.8 °C
Solubility:	miscible with water
Appearance:	clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	34-22
Safety:	26-27-36/37/39-45
Transport Information:	UN 3267 8/PG 2
PSA:	43.84000
LogP:	0.93220

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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