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(S)-1-Amino-2，3-dihydro-1H-indene-4-carbonitrile - ≥97%, high purity , CAS No.1213099-69-4

COA

Grade & Purity:

≥97%

Cas Number: 1213099-69-4
Molecular Weight: 158.2
PubChem CID: 53350322

In stock

Item Number

A733349

Grouped product items
SKU	Size	Availability	Price
A733349-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
A733349-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$287.90
A733349-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,148.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indanes
Alternative Parents	Aralkylamines Nitriles Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indane - Aralkylamine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
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

Names and Identifiers

IUPAC Name	(1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride
INCHI	InChI=1S/C10H10N2.ClH/c11-6-7-2-1-3-9-8(7)4-5-10(9)12;/h1-3,10H,4-5,12H2;1H/t10-;/m0./s1
InChIKey	NYCLSOKJNLLCHQ-PPHPATTJSA-N
Smiles	C1CC2=C(C=CC=C2C1N)C#N.Cl
Isomeric SMILES	C1CC2=C(C=CC=C2[C@H]1N)C#N.Cl
PubChem CID	53350322
Molecular Weight	158.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.660 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	194.061 Da
Monoisotopic Mass	194.061 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	215.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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	2

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