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N-Phenylbenzamidine - 95%, high purity , CAS No.1527-91-9

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N-Phenylbenzamidine - 95%, high purity , CAS No.1527-91-9

COA

Grade & Purity:

≥95%

Cas Number: 1527-91-9
Molecular Weight: 196.254
PubChem CID: 200127
PubChem SID: 488188601

In stock

Item Number

N167493

Grouped product items
SKU	Size	Availability	Price
N167493-1g	1g	3	$16.90
N167493-5g	5g	9	$62.90
N167493-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$264.90
N167493-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90

Basic Description

Synonyms	N-phenylbenzamidine \| 1527-91-9 \| N-phenylbenzenecarboximidamide \| N-Phenylbenzimidamide \| N'-phenylbenzenecarboximidamide \| MFCD00019730 \| N'-Phenylbenzamidine \| N-phenyl-benzenecarboximidamide \| Benzenecarboximidamide,N-phenyl- \| Benzenecarboximidamide, N-phenyl- \| NSC3894
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Carboxamidines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188601
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188601
IUPAC Name	N'-phenylbenzenecarboximidamide
INCHI	InChI=1S/C13H12N2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKey	MPYOKHFSBKUKPQ-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N
Isomeric SMILES	C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N
Molecular Weight	196.254
Reaxy-Rn	1073308
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073308&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
K1929038	Certificate of Analysis	Jul 18, 2023	N167493
L2214162	Certificate of Analysis	Dec 16, 2022	N167493

Chemical and Physical Properties

Sensitivity	light sensitive; Moisture sensitive
Melt Point(°C)	117-120°C
Molecular Weight	196.250 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	196.1 Da
Monoisotopic Mass	196.1 Da
Topological Polar Surface Area	38.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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