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1,3,3-trimethyl-2,3-dihydro-1H-indol-5-amine - 97%, high purity , CAS No.848047-45-0

COA

Grade & Purity:

≥97%

Cas Number: 848047-45-0
Molecular Weight: 176.263
PubChem CID: 22662108

In stock

Item Number

T177611

Grouped product items
SKU	Size	Availability	Price	Qty
T177611-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,869.90

Basic Description

Synonyms	848047-45-0 \| (1,3,3-Trimethyl-2,3-dihydro-1H-indol-5-yl)amine \| 1,3,3-Trimethylindolin-5-amine \| 1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-INDOL-5-AMINE \| 1,3,3-trimethyl-2H-indol-5-amine \| SCHEMBL5468863 \| DTXSID90627381 \| KGKIIOQCBMYRNC-UHFFFAOYSA-N \| 5-amino-1,3,3-trimethyl-ind
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indoles and derivatives
Alternative Parents	Dialkylarylamines Aralkylamines Benzenoids Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole 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	1,3,3-trimethyl-2H-indol-5-amine
INCHI	InChI=1S/C11H16N2/c1-11(2)7-13(3)10-5-4-8(12)6-9(10)11/h4-6H,7,12H2,1-3H3
InChIKey	KGKIIOQCBMYRNC-UHFFFAOYSA-N
Smiles	CC1(CN(C2=C1C=C(C=C2)N)C)C
Isomeric SMILES	CC1(CN(C2=C1C=C(C=C2)N)C)C
PubChem CID	22662108
Molecular Weight	176.263

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.260 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.131 Da
Monoisotopic Mass	176.131 Da
Topological Polar Surface Area	29.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200.000
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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