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5-aminogramine - ≥95% , CAS No.3414-74-2

5-aminogramine - ≥95% , CAS No.3414-74-2

Name: 5-aminogramine - ≥95% , CAS No.3414-74-2
SKU: A478977
Availability: InStock

CAS: 3414-74-2 Cat. No.: A478977 Formula: C₁₁H₁₅N₃ Molecular Weight: 189.26 EC Number: 108-844-2

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Synonyms

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties FAQs and Articles Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature,Argon charged,Desiccated Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥95%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles	CN(C)CC1=CNC2=C1C=C(C=C2)N
IUPAC Name	3-[(dimethylamino)methyl]-1H-indol-5-amine
InChIKey	LXCLCCAAPPKYBS-UHFFFAOYSA-N
INCHI	1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3
Isomeric SMILES	CN(C)CC1=CNC2=C1C=C(C=C2)N
Molecular Weight	189.26
Reaxy-Rn	393962
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=393962&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	3-alkylindoles
Alternative Parents	Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-alkylindole - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.260 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	189.127 Da
Monoisotopic Mass	189.127 Da
Topological Polar Surface Area	45.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193.000
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

FAQs and Articles

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Categories: Reagent Specifications, Grading and Purity

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