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306935-00-2

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Basic Information
CAS No.: 306935-00-2
Name: 2-BROMOMETHYL-4-BENZYLMORPHOLINE
Molecular Structure:
Molecular Structure of 306935-00-2 (2-BROMOMETHYL-4-BENZYLMORPHOLINE)
Formula: C12H16BrNO
Molecular Weight: 270.1655
Synonyms: 4-benzyl-2-(bromomethyl)morpholine;2-Bromomethyl-4-benzylmorpholine;
Density: 1.343 g/cm3
Boiling Point: 330.5 °C at 760 mmHg
Flash Point: 153.7 °C
Hazard Symbols: CorrosiveC
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 12.47000
LogP: 2.22020
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Specification

The Morpholine,2-(bromomethyl)-4-(phenylmethyl)-, with the CAS registry number 306935-00-2, has the systematic name of 4-benzyl-2-(bromomethyl)morpholine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C12H16BrNO.

The characteristics of Morpholine,2-(bromomethyl)-4-(phenylmethyl)- are as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 20.01; (7)ACD/KOC (pH 5.5): 39.66; (8)ACD/KOC (pH 7.4): 290.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 65.21 cm3; (15)Molar Volume: 201.1 cm3; (16)Polarizability: 25.85×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 57.3 kJ/mol; (21)Boiling Point: 330.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25°C.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC2OCCN(Cc1ccccc1)C2
(2)InChI: InChI=1/C12H16BrNO/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
(3)InChIKey: HYDNAFJDFGPLGH-UHFFFAOYAJ