(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile Hydrochloride - CAS 1306763-57-4
Catalog: |
BB007153 |
Product Name: |
(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile Hydrochloride |
CAS: |
1306763-57-4 |
Synonyms: |
(1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride; (1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride |
IUPAC Name: | (1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride |
Description: | (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile Hydrochloride (CAS# 1306763-57-4) is a useful reagent in the preparation of aryl(indanyl)oxadiazoles as sphingosine 1 phosphate receptor modulators useful in treatment of S1P1-associated diseases. |
Molecular Weight: | 194.66 |
Molecular Formula: | C10H11ClN2 |
Canonical SMILES: | C1CC2=C(C=CC=C2C1N)C#N.Cl |
InChI: | InChI=1S/C10H10N2.ClH/c11-6-7-2-1-3-9-8(7)4-5-10(9)12;/h1-3,10H,4-5,12H2;1H/t10-;/m0./s1 |
InChI Key: | NYCLSOKJNLLCHQ-PPHPATTJSA-N |
LogP: | 3.00658 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020115200-A1 | Improved process for preparing ozanimod | 20181207 |
EP-3891133-A1 | Improved process for preparing ozanimod | 20181207 |
WO-2019058290-A1 | IMPROVED PROCESS FOR THE PREPARATION OF AZANIMOD A-AMINO COMPOUND | 20170920 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0610761 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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