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CAS 79881-89-3

CAS 79881-89-3

Chemistry, 1 End Use API

Chemistry
1 End Use API

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CAS 79881-89-3

Also known as: 79881-89-3, Urea,n'-(3-acetyl-4-hydroxyphenyl)-n,n-diethyl, A 1354, Ec 411-970-3, Schembl10569212, Dtxsid30229944

Molecular Formula

C₁₃H₁₈N₂O₃

Molecular Weight

250.29 g/mol

InChI Key

MDJCAAFMRNPNOF-UHFFFAOYSA-N

1 2D Structure

CAS 79881-89-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(3-acetyl-4-hydroxyphenyl)-1,1-diethylurea

2.1.2 InChI

InChI=1S/C13H18N2O3/c1-4-15(5-2)13(18)14-10-6-7-12(17)11(8-10)9(3)16/h6-8,17H,4-5H2,1-3H3,(H,14,18)

2.1.3 InChI Key

MDJCAAFMRNPNOF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)O)C(=O)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. A 1354

2. A-1354

2.2.2 Depositor-Supplied Synonyms

1. 79881-89-3

2. Urea,n'-(3-acetyl-4-hydroxyphenyl)-n,n-diethyl

3. A 1354

4. Ec 411-970-3

5. Schembl10569212

6. Dtxsid30229944

7. Zinc5845769

8. Akos015896513

9. Urea,n-(3-acetyl-4-hydroxyphenyl)-n,n-diethyl

10. Urea, N'-(3-acetyl-4-hydroxyphenyl)-n,n-diethyl-

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈N₂O₃
Molecular Weight	250.29 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	250.13174244 g/mol
Monoisotopic Mass	250.13174244 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

Urea,N'-(3-Acetyl-4-hydroxyphenyl)-N,N-diethyl

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CAS Number

79881-89-3

End Use API

Celiprolol Hydrochloride

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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