5-Amino-1,2,3,4-tetrahydroisoquinoline - CAS 115955-90-3
Catalog: |
BB003659 |
Product Name: |
5-Amino-1,2,3,4-tetrahydroisoquinoline |
CAS: |
115955-90-3 |
Synonyms: |
1,2,3,4-tetrahydroisoquinolin-5-amine |
IUPAC Name: | 1,2,3,4-tetrahydroisoquinolin-5-amine |
Description: | 5-Amino-1,2,3,4-tetrahydroisoquinoline (CAS# 115955-90-3) is used in preparation Quinolinyl and Quinazolinyl Benzenesulfamides and analogs as ectonucleotide ENPP-1 inhibitors as antitumor antiviral. |
Molecular Weight: | 148.20 |
Molecular Formula: | C9H12N2 |
Canonical SMILES: | C1CNCC2=C1C(=CC=C2)N |
InChI: | InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2 |
InChI Key: | ZSHCQIHYOFRGNI-UHFFFAOYSA-N |
Boiling Point: | 437.5 °C at 760 mmHg |
Melting Point: | 153-155 °C (lit.) |
Purity: | 95 % |
Density: | 1.636 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD02684185 |
LogP: | 1.82450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127039-A1 | Combinations | 20191220 |
KR-20210076879-A | Novel pyrimidine derivatives and use thereof | 20191216 |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
CN-112876470-A | Method for synthesizing quinazolinone compound under nonmetal catalysis without additive | 20191129 |
KR-20200131246-A | Heterocyclic compounds as kinase inhibitors | 20180215 |
PMID | Publication Date | Title | Journal |
17348047 | 20070101 | Catalytic addition of amine N-H bonds to carbodiimides by half-sandwich rare-earth metal complexes: efficient synthesis of substituted guanidines through amine protonolysis of rare-earth metal guanidinates | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.100048391 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Amines and Anilines
Quinoline/Isoquinoline
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