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2-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine - 97%, high purity , CAS No.14097-40-6
Basic Description
Synonyms
14097-40-6 | 2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-AMINE | 7-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl- | 2-Methyl-3,4-dihydro-1H-isoquinolin-7-amine | 7-AMINO-1,2,3,4-TETRAHYDRO-2-METHYL-7-ISOQUINOLINE | 7-Amino-2-methyl-1,2,3,4-tetrahydroisoquinoline | MFCD1
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Aminoquinolines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminoquinolines and derivatives
Alternative Parents
Tetrahydroisoquinolines Aralkylamines Benzenoids Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminoquinoline - Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Tertiary aliphatic amine - 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 aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
INCHI
InChI=1S/C10H14N2/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3
InChIKey
VRKLIVSHUQSRNF-UHFFFAOYSA-N
Smiles
CN1CCC2=C(C1)C=C(C=C2)N
Isomeric SMILES
CN1CCC2=C(C1)C=C(C=C2)N
Molecular Weight
162.2316
Reaxy-Rn
131268
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131268&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
162.230 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
162.116 Da
Monoisotopic Mass
162.116 Da
Topological Polar Surface Area
29.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
158.000
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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