CAS 304690-94-6|1-methyl-1,2,3,4-tetrahydroquinolin-7-amine|1-methyl-3,4-dihydro-2H-quinolin-7-amine|1-Methyl-1,2,3,4-tetrahydro-quinolin-7-ylamine|1-methyl-1,2,3,4-tetrahydroquinolin-7-amine

General Information

Structure

Molecular Formula

C₁₀H₁₄N₂

Molecular Mass

162.23156

Exact Mass

162.11569846

Charge

InChI

InChI=1S/C10H14N2/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3

InChIKey

OMGAOBAAEGMMTF-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)N(C)CCC2

Isomeric Smiles

c12N(CCCc2ccc(c1)N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4142547

LogD (pH = 7.4)

1.7308192

Log P

1.7368209

Molar Refractivity

53.0976

Polarizability

19.177847

Polar Surface Area

29.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-methyl-1,2,3,4-tetrahydroquinolin-7-amine

IUPAC Traditional name

1-methyl-3,4-dihydro-2H-quinolin-7-amine

Synonyms

1-Methyl-1,2,3,4-tetrahydro-quinolin-7-ylamine1-methyl-1,2,3,4-tetrahydroquinolin-7-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC name

• IUPAC Traditional name

• Synonyms

Registration numbers

• CAS Number

• MDL Number

• PubChem SID

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:31676