CAS 23357-52-0|(1S)-1,2,3,4-tetrahydronaphthalen-1-amine|(S)-1,2,3,4-Tetrahydro-1-naphthylamine|(1S)-1,2,3,4-tetrahydronaphthalen-1-amine|(S)-(+)-1-氨基四氢化萘|(S)-(+)-1-Aminotetraline|(S)-(+)-1,2,...

General Information

Structure

Molecular Formula

C₁₀H₁₃N

Molecular Mass

147.21692

Exact Mass

147.10479942

Charge

InChI

InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1

InChIKey

JRZGPXSSNPTNMA-JTQLQIEISA-N

Canonic Smiles

N[C@H]1CCCc2c1cccc2

Isomeric Smiles

[C@@H]1(CCCc2ccccc12)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.92047

LogD (pH = 7.4)

-0.19281884

Log P

2.0878072

Molar Refractivity

46.7132

Polarizability

18.460941

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

IUPAC Traditional name

(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

Synonyms

(S)-1,2,3,4-Tetrahydro-1-naphthylamine(S)-(+)-1-氨基四氢化萘(S)-(+)-1-Aminotetraline(S)-(+)-1,2,3,4-四氢-1-萘胺(S)-(+)-1-AminoTetralin®(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine(S)-1,2,3,4-Tetrahydronaphthalen-1-amine(S)-1-Amino-1,2,3,4-tetrahydronaphthalene(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine(S)-1,2,3,4-Tetrahydro-1-naphthylamine(S)-(+)-1,2,3,4-Tetrahydro-1-aminonaphthalene(S)-1,2,3,4-Tetrahydro-1-naphthalenamineS-(+)-1-Aminotetrahydronaphthalene(1S)-1,2,3,4-Tetrahydro-1-naphthalenylamine(S)-(+)-1-Aminotetralin(1S)-1,2,3,4-Tetrahydronaphthalen-1-amine

Names and Identifiers

Registration numbers

PubChem CID

Beilstein Number

MDL Number

PubChem SID

CAS Number

EC Number

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

726540

Packaging
25, 100 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

668796

Packaging
5, 25 g in glass bottle
Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

TRC

A629950

A chiral amine derivative used in studies of real-time chiral discrimination of enantiomers as well as in studies of kinetic resolution of chiral amines with ω-transaminase using an enzyme-membrane reactor.

Molecule Details

References

PubChem Literature

From Data Sources

• Shin, J. et al.: Biotech. Bioeng., 73, 179 (2009)

• Su, W.C. et al.: Biosens. Bioelec., 25, 488 (2009)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

IUPAC Traditional name

(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

Synonyms

Registration numbers

PubChem CID

Beilstein Number

MDL Number

PubChem SID

CAS Number

EC Number

Molecule Details

726540

Packaging
25, 100 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

668796

Packaging
5, 25 g in glass bottle
Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

TRC

A629950

References

PubChem Literature

From Data Sources

• Shin, J. et al.: Biotech. Bioeng., 73, 179 (2009)

• Su, W.C. et al.: Biosens. Bioelec., 25, 488 (2009)

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:68682