Luna Chemicals

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

144010-02-6

End Use API

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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