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183321-74-6

Basic Information
CAS No.: 183321-74-6
Name: Erlotinib
Molecular Structure:
Molecular Structure of 183321-74-6 (Erlotinib)
Formula: C22H23N3O4
Molecular Weight: 393.44
Synonyms: Erlotinib base;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-,;Taizhou hikong chemical sell Erlotinib;Erlotinib & its intermediates;N-(3-Ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine;
EINECS: 689-196-2
Density: 1.247 g/cm3
Melting Point: 223 - 228oC
Boiling Point: 553.6 °C at 760 mmHg
Flash Point: 288.6 °C
Solubility:
Appearance: white to off-white powder
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 74.73000
LogP: 3.47810
Downstream Products
183319-69-9
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    Erlotinib

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    Quick Details CAS No.: 183321-74-6 Other Names: N-(3-Ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine MF: C22H23N3O4 EINECS No.:

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    Erlotinib 183321-74-6

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Specification

1. Introduction of Erlotinib

Erlotinib, with the IUPAC Name of N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, is one kind of white or off-white crystalline powder. Its classification code are Enzyme Inhibitors and Protein Kinase Inhibitors. And it belongs to the Product Categories which include Erlotinib; Pharmaceutical intermediate.  Erlotinib is used to be a antineoplastic drug.

2. Properties of Erlotinib

(1)Molecular Weight: 393.435720 g/mol; (2)Molar Refractivity: 110.06 cm3; (3)Molar Volume: 315.4 cm3; (4)Density: 1.24 g/cm3; (5)Flash Point: 288.6 °C ; (6)Index of Refraction: 1.614; (7)Polarizability: 43.63×10-24cm3 ; (8)Surface Tension: 59.9 dyne/cm ; (9)Enthalpy of Vaporization: 83.44 kJ/mol ; (10)Boiling Point: 553.6 °C at 760 mmHg ; (11)Vapour Pressure: 2.69E-12 mmHg at 25°C。

3. Structure Descriptors of Erlotinib

You could convert the following datas into the molecular structure:
(1).Canonical SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
(2).InChI: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
(3).InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N