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CAS 1307233-93-7 manufacturers and suppliers on PharmaCompass

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CAS 1307233-93-7

CAS 1307233-93-7

Chemistry, 1 End Use API, 96 Related Intermediates

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CAS 1307233-93-7

Also known as: 1307233-93-7, Hexyl n-[amino-(4-aminophenyl)methylidene]carbamate;hydrochloride, Hexyl (amino(4-aminophenyl)methylene)carbamate hydrochloride, Hexyl ((4-aminophenyl)(imino)methyl)carbamate hydrochloride

Molecular Formula

C₁₄H₂₂ClN₃O₂

Molecular Weight

299.79 g/mol

InChI Key

YEHXBSOVEPWPSD-UHFFFAOYSA-N

1 2D Structure

CAS 1307233-93-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexyl N-[amino-(4-aminophenyl)methylidene]carbamate;hydrochloride

2.1.2 InChI

InChI=1S/C14H21N3O2.ClH/c1-2-3-4-5-10-19-14(18)17-13(16)11-6-8-12(15)9-7-11;/h6-9H,2-5,10,15H2,1H3,(H2,16,17,18);1H

2.1.3 InChI Key

YEHXBSOVEPWPSD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCOC(=O)N=C(C1=CC=C(C=C1)N)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1307233-93-7

2. Hexyl N-[amino-(4-aminophenyl)methylidene]carbamate;hydrochloride

3. Hexyl (amino(4-aminophenyl)methylene)carbamate Hydrochloride

4. Hexyl ((4-aminophenyl)(imino)methyl)carbamate Hydrochloride

2.3 Create Date

2015-11-07

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂ClN₃O₂
Molecular Weight	299.79 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	90.7
Heavy Atom Count	20
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	2

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Dabigatran Etexilate Mesylate

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CAS Number

1307233-93-7

Intermediate Name

Hexyl Amino-4-Amino Phenyl Methylen...

About the Company

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.

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