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Acetamide,N-(phenyl-2,3,4,5,6-d5)-

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Name

Acetamide,N-(phenyl-2,3,4,5,6-d5)-

EINECS 239-928-8
CAS No. 15826-91-2 Density 1.144 g/cm3
PSA 29.10000 LogP 1.71800
Solubility N/A Melting Point 113-115 °C(lit.)
Formula C8H4D5NO Boiling Point 304.5 °C at 760 mmHg
Molecular Weight 140.126 Flash Point 173.9 °C
Transport Information N/A Appearance N/A
Safety 22-26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 15826-91-2 (ACETANILIDE-2,3,4,5,6-D5) Hazard Symbols HarmfulXn
Synonyms

Acetanilide-2',3',4',5',6'-d5 (8CI);Acetamide,N-(phenyl-d5)- (9CI);acetamide, N-(phenyl-d5)-;N-(2H5)Phenylacetamide;

Article Data 21

Acetamide,N-(phenyl-2,3,4,5,6-d5)- Specification

The Acetamide,N-(phenyl-2,3,4,5,6-d5)-, with the CAS registry number 15826-91-2 and EINECS registry number 239-928-8, has the systematic name of N-(2H5)phenylacetamide. It is also called 2',3',4',5',6'-Pentadeuteroacetanilide. And the molecular formula of this chemical is C8H4D5NO.

The physical properties of Acetamide,N-(phenyl-2,3,4,5,6-d5)- are as following: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.91; (6)ACD/BCF (pH 7.4): 3.91; (7)ACD/KOC (pH 5.5): 92.44; (8)ACD/KOC (pH 7.4): 92.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 40.52 cm3; (15)Molar Volume: 122.5 cm3; (16)Polarizability: 16.06×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 173.9 °C; (20)Enthalpy of Vaporization: 54.49 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000871 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swllowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c([2H])c([2H])c([2H])c([2H])c1[2H])C
(2)InChI: InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i2D,3D,4D,5D,6D
(3)InChIKey: FZERHIULMFGESH-VIQYUKPQEI

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