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CAS 188404-34-4

Chemistry, 1 End Use API, 32 Related Intermediates

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Also known as: Butyl n-[1-(4-aminophenyl)-3-hydroxypropan-2-yl]carbamate, 188404-34-4, Schembl5754973, Dtxsid80474280, Ar-011/42531543

Molecular Formula

C₁₄H₂₂N₂O₃

Molecular Weight

266.34 g/mol

InChI Key

OSUKKPIXRGNCBB-UHFFFAOYSA-N

1 2D Structure

CAS 188404-34-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butyl N-[1-(4-aminophenyl)-3-hydroxypropan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C14H22N2O3/c1-2-3-8-19-14(18)16-13(10-17)9-11-4-6-12(15)7-5-11/h4-7,13,17H,2-3,8-10,15H2,1H3,(H,16,18)

2.1.3 InChI Key

OSUKKPIXRGNCBB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCOC(=O)NC(CC1=CC=C(C=C1)N)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Butyl N-[1-(4-aminophenyl)-3-hydroxypropan-2-yl]carbamate

2. 188404-34-4

3. Schembl5754973

4. Dtxsid80474280

5. Ar-011/42531543

2.3 Create Date

2006-11-06

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂N₂O₃
Molecular Weight	266.34 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	84.6
Heavy Atom Count	19
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

87691-88-1

End Use API

Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our...

Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our inception in 1988. Our resources are dedicated to promoting better health through products that offer superior value. Located in Pithampur, Madhya Pradesh, Medilux Laboratories is committed to strategic research, delivering a complex range of globally benchmarked chemistries. Our products and services are rapidly making strides in the global pharmaceutical space, giving us the impetus to constantly strive for excellence and provide quality customer service.

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