UCSF

ZINC03861295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 1,2,3,4-Tetrahydro-1-naphthylamine 1,2,3,4-Tetrahydro-1-naphthylamine

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CAS Numbers: 2217-40-5 , 2217-41-6 , 23357-46-2 , 23357-52-0 , 32908-40-0 , 32908-42-2 , 49800-23-9 , [21880-87-5] , [2217-40-5] , [23357-52-0] , [3459-02-7] , [49800-23-9]

Other Names:

"(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine, 98% [ee: 98%]"

"1,2,3,4-Tetrahydro-1-naphthylamine, 98%"

(+/-)-1,2,3,4-Tetrahydro-1-naphthylamine

(+/-)-1,2,3,4-Tetrahydro-1-naphthylamine, 97%

(1S)-(+)-1-Amino-1,2,3,4-tetrahydronaphthalene

(R)-(-)-1,2,3,4-Tetrahydro-1-naphthylamine

(R)-1,2,3,4-Tetrahydronaphthalen-1-aminehydrochloride

(S)-(+)-1,2,3,4-tetrahydro-1-naphthylamine

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine, ChiPros? 99+%, ee 99%

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine, ChiPros® 99+%, ee 99%

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine, ChiPros× 99+%, ee 99%

(S)-1,2,3,4-Tetrahydro-1-naphthylamine

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

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

(S)-1-Amino-1,2,3,4-tetrahydronaphthalene

1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINE HYDROCHLORIDE

1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride; 1,2,3,4-Tetrahydronaphthalen-1-amine hydrochloride; 1-Naphthylamine, 1,2,3,4-tetrahydro-, hydrochloride; EINECS 222-397-1; LS-95831

1,2,3,4-Tetrahydro-1-naphthylamine, 98%

1,2,3,4-Tetrahydro-1-naphthylaminehydrochloride

1,2,3,4-Tetrahydro-naphthalen-1-ylamine

1,2,3,4-tetrahydronaphthalen-1-amine

1,2,3,4-Tetrahydronaphthalen-1-amine hydrochloride

1,2,3,4-tetrahydronaphthalen-1-ylamine

1,2,3,4-Tetrahydronaphthalene-1-amine

1-Amino-1,2,3,4-tetrahydro-naphthalene

1-Aminotetralin

1-naphthalenamine, 1,2,3,4-tetrahydro-

1-naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride

1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride (1:1), (1S)-

5,6,7,8-Tetrahydro-1-naphthylamine

DNC012263

MFCD00001740

MFCD00051984

MFCD00671630

NA

OR-4485

TETRAHYDRONAPHTHYLAMIN

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.21 4.28 -43.63 3 1 1 28 148.229 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 118-120?/8mm Alfa-Aesar
Boiling_Point 118-120°/8mm Alfa-Aesar
BP 230 TCI
BP [°C] 246 - 247 (p=714 torr) Acros Organics
Boiling_Point 246-247?/714mm Alfa-Aesar
Boiling_Point 246-247°/714mm Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-1-E Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic Eukaryotes 720 0.78 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_BOVIN P56560 Monoamine Oxidase B, Bovin 720 0.78 Binding ≤ 1μM
AOFB_BOVIN P56560 Monoamine Oxidase B, Bovin 720 0.78 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

Analogs ( Draw Identity 99% 90% 80% 70% )