Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzoic-2,3,5,6-d4acid, 4-amino-, ethyl ester (9CI)

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Benzoic-2,3,5,6-d4acid, 4-amino-, ethyl ester (9CI)

EINECS N/A
CAS No. 342611-08-9 Density 1.158 g/cm3
PSA 52.32000 LogP 2.02670
Solubility N/A Melting Point 85-87 °C
Formula C9H7D4NO2 Boiling Point 310.731 °C at 760 mmHg
Molecular Weight 169.21 Flash Point 164.199 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 342611-08-9 (ETHYL 4-AMINOBENZOATE-2,3,5,6-D4) Hazard Symbols N/A
Synonyms

ETHYL 4-AMINOBENZOATE-2,3,5,6-D4;Benzocaine-D4;4-Aminobenzoic-2,3,5,6-d4 Acid Ethyl Ester;Benzocaine-d4 (See B202970 for Unlabelled);(p-(Ethoxycarbonyl)(phenyl-d4)Mine;4-(Ethoxycarbonyl)(phenyl-d4)aMine;4-(Ethoxycarbonyl)aniline-d4;4-AMinobenzoic Acid-d4 Ethyl Ester

 

Benzoic-2,3,5,6-d4acid, 4-amino-, ethyl ester (9CI) Specification

This chemical is called Benzoic-2,3,5,6-d4acid, 4-amino-, ethyl ester (9CI), and its systematic name is Ethyl 4-amino-2,3,5,6-tetradeuterio-benzoate. With the molecular formula of C9H7D4NO2, its molecular weight is 169.21. The CAS registry number of this chemical is 342611-08-9. Additionally, its product categories are Amines; Aromatics; Isotope Labeled Compounds.

Other characteristics of Benzoic-2,3,5,6-d4acid, 4-amino-, ethyl ester (9CI) can be summarised as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.835; (4)ACD/LogD (pH 7.4): 1.835; (5)ACD/BCF (pH 5.5): 14.598; (6)ACD/BCF (pH 7.4): 14.613; (7)ACD/KOC (pH 5.5): 237.079; (8)ACD/KOC (pH 7.4): 237.319; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 46.895 cm3; (15)Molar Volume: 146.113 cm3; (16)Polarizability: 18.591×10-24cm3; (17)Surface Tension: 44.671 dyne/cm; (18)Density: 1.158 g/cm3; (19)Flash Point: 164.199 °C; (20)Enthalpy of Vaporization: 55.159 kJ/mol; (21)Boiling Point: 310.731 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]c1c(c(c(c(c1C(=O)OCC)[2H])[2H])N)[2H]
2.InChI: InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3/i3D,4D,5D,6D
3.InChIKey: BLFLLBZGZJTVJG-LNFUJOGGEV
4.Std. InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3/i3D,4D,5D,6D
5.Std. InChIKey: BLFLLBZGZJTVJG-LNFUJOGGSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 342611-08-9