Isohistamine supplier | CasNO.19225-96-8

Name
isohistamine
EINECS
CAS No. 19225-96-8
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₅H₉N₃
Boiling Point 341.9 °C at 760 mmHg
Molecular Weight 111.147
Flash Point 187.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Imidazole,2-(2-aminoethyl)- (7CI,8CI);2-(1H-Imidazol-2-yl)ethanamine;2-(2-Aminoethyl)imidazole;Isohistamine;
PSA 54.70000
LogP 0.61120

Isohistamine Specification

The IUPAC name of Isohistamine is 2-(1H-imidazol-2-yl)ethanamine. With the CAS registry number 19225-96-8, it is also named as 2-(2-Aminoethyl)imidazole. In addition, its molecular formula is C₅H₉N₃ and molecular weight is 111.14506.

The other characteristics of Isohistamine can be summarized as: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.65; (4)ACD/LogD (pH 7.4): -2.94; (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: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 31.86 cm³; (15)Molar Volume: 97.4 cm³; (16)Polarizability: 12.63×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 58.56 kJ/mol; (21)Boiling Point: 341.9 °C at 760 mmHg; (22)Vapour Pressure: 7.81E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n1ccnc1CCN
(2)InChI: InChI=1/C5H9N3/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2,(H,7,8)
(3)InChIKey: DEURIUYJZZLADZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H9N3/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2,(H,7,8)
(5)Std. InChIKey: DEURIUYJZZLADZ-UHFFFAOYSA-N

Product Name

isohistamine

Isohistamine Specification

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