7-Nitro-1,2,3,4-tetrahydroisoquinoline Hydrochloride - CAS 99365-69-2
Catalog: |
BB042284 |
Product Name: |
7-Nitro-1,2,3,4-tetrahydroisoquinoline Hydrochloride |
CAS: |
99365-69-2 |
Synonyms: |
7-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride; 7-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
IUPAC Name: | 7-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
Description: | 7-Nitro-1,2,3,4-tetrahydroisoquinoline Hydrochloride (CAS# 99365-69-2) is a useful research chemical. |
Molecular Weight: | 214.65 |
Molecular Formula: | C9H11ClN2O2 |
Canonical SMILES: | C1CNCC2=C1C=CC(=C2)[N+](=O)[O-].Cl |
InChI: | InChI=1S/C9H10N2O2.ClH/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10H,3-4,6H2;1H |
InChI Key: | KGIXLJRTYZOUCW-UHFFFAOYSA-N |
Boiling Point: | 349 °C at 760 mmHg |
Appearance: | Light brown solid |
MDL: | MFCD07371494 |
LogP: | 2.89450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021236663-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
WO-2021127265-A1 | Compounds and probes for imaging huntingtin protein | 20191218 |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
AU-2016384928-A1 | FXR receptor modulator, preparation method therefor, and uses thereof | 20160106 |
EP-3401315-A1 | Fxr receptor modulator, preparation method therefor, and uses thereof | 20160106 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0509053 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Quinoline/Isoquinoline
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