CAS 2637-31-2|3-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-amine|3-(3,4-dihydroquinolin-1(2H)-yl)propan-1-amine|3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-amine|3-(3,4-Dihydro-2H-quinolin-1-yl)-propyla...

General Information

Structure

Molecular Formula

C₁₂H₁₈N₂

Molecular Mass

190.28472

Exact Mass

190.14699859

Charge

InChI

InChI=1S/C12H18N2/c13-8-4-10-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,5,7H,3-4,6,8-10,13H2

InChIKey

BHHICRFDCVVASL-UHFFFAOYSA-N

Canonic Smiles

NCCCN1CCCc2c1cccc2

Isomeric Smiles

N1(c2c(CCC1)cccc2)CCCN

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2664968

LogD (pH = 7.4)

-0.4971908

Log P

1.8287228

Molar Refractivity

61.2124

Polarizability

23.27038

Polar Surface Area

29.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-(3,4-dihydroquinolin-1(2H)-yl)propan-1-amine3-(3,4-Dihydro-2H-quinolin-1-yl)-propylamine

IUPAC Traditional name

3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-amine

IUPAC name

3-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-amine

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• PubChem CID

• PubChem SID

• CAS Number

• MDL Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:30028