CAS No.125422-83-5,3-Morpholinopropyl bromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	125422-83-5
Name:	3-Morpholinopropyl bromide
Article Data:	10

Formula:	C₇H₁₄BrNO
Molecular Weight:	208.098
Synonyms:	3-Morpholinopropylbromide;4-(3-Bromopropyl)morpholine;
Density:	1.335 g/cm³
Boiling Point:	242.6 °C at 760 mmHg
Flash Point:	100.5 °C
Appearance:	White or off-white crystal powder
PSA:	12.47000
LogP:	1.04150

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Specification

This chemical is called 3-Morpholinopropyl bromide, and its systematic name is 4-(3-bromopropyl)morpholine. With the molecular formula of C₇H₁₄BrNO, its molecular weight is 208.10. The CAS registry number of this chemical is 125422-83-5, and its product category is API Intermediate.

Other characteristics of the 3-Morpholinopropyl bromide can be summarised as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.8; (6)ACD/KOC (pH 5.5): 1.35; (7)ACD/KOC (pH 7.4): 45.08; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47 Å²; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 45.3 cm³; (14)Molar Volume: 155.8 cm³; (15)Polarizability: 17.96×10^-24cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1.335 g/cm³; (18)Flash Point: 100.5 °C; (19)Enthalpy of Vaporization: 47.96 kJ/mol; (20)Boiling Point: 242.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0337 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrCCCN1CCOCC1
2.InChI: InChI=1/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
3.InChIKey: AFUWTOMPIDVMSJ-UHFFFAOYAH
4.Std. InChI: InChI=1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
5.Std. InChIKey: AFUWTOMPIDVMSJ-UHFFFAOYSA-N