(R,S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid - CAS 41994-51-8
Catalog: |
BB025004 |
Product Name: |
(R,S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid |
CAS: |
41994-51-8 |
Synonyms: |
DL-Tic-OH |
IUPAC Name: | 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride |
Description: | (R,S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid (CAS# 41994-51-8) is a useful research chemical compound. |
Molecular Weight: | 213.66 |
Molecular Formula: | C10H12CLNO2 |
Canonical SMILES: | C1C(NCC2=CC=CC=C21)C(=O)O.Cl |
InChI: | InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H |
InChI Key: | FXHCFPUEIDRTMR-UHFFFAOYSA-N |
Boiling Point: | 372 °C at 760 mmHg (Predicted) |
Melting Point: | >300 °C (lit.) |
Purity: | ≥ 97 % |
Density: | 1.225 g/cm3 |
Appearance: | White powder |
Storage: | Store at 2-8 °C |
MDL: | MFCD00012743 |
LogP: | 1.11430 |
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-2020130119-A1 | Wnt signaling pathway inhibitor | 20181220 |
WO-2019204418-A1 | Pyrazo-tetrahydroisoquinoline derivatives as dopamine d1 receptor positive modulators | 20180420 |
EP-3781560-A1 | Pyrazo-tetrahydroisoquinoline derivatives as dopamine d1 receptor positive modulators | 20180420 |
US-2019270723-A1 | Nucleic acid-binding photoprobes and uses thereof | 20171130 |
EP-3717009-A1 | Nucleic acid-binding photoprobes and uses thereof | 20171130 |
PMID | Publication Date | Title | Journal |
19132829 | 20090212 | Therapeutic index of gramicidin S is strongly modulated by D-phenylalanine analogues at the beta-turn | Journal of medicinal chemistry |
17316912 | 20070601 | Synthesis and biological activity of oxytocin analogues containing conformationally-restricted residues in position 7 | European journal of medicinal chemistry |
11857381 | 20020301 | Identification of bradykinin receptors in clinical cancer specimens and murine tumor tissues | International journal of cancer |
11428548 | 20010501 | New conformationally homogeneous beta-turn antagonists of the human B2 kinin receptor | Journal of peptide science : an official publication of the European Peptide Society |
1687463 | 19911119 | Cyclic somatostatin analogues as potent antagonists at mu-, but not delta- and kappa-opioid receptors mediating presynaptic inhibition of neurotransmitter release in the brain | European journal of pharmacology |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0556563 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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Quinoline/Isoquinoline
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