(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile - CAS 1213099-69-4
Catalog: |
BB005123 |
Product Name: |
(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile |
CAS: |
1213099-69-4 |
Synonyms: |
(1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile; (1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile |
IUPAC Name: | (1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride |
Description: | (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile (CAS# 1213099-69-4) 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: | 158.20 |
Molecular Formula: | C10H10N2 |
Canonical SMILES: | C1CC2=C(C=CC=C2C1N)C#N |
InChI: | InChI=1S/C10H10N2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,10H,4-5,12H2/t10-/m0/s1 |
InChI Key: | ICKYBHPNMIHUPQ-JTQLQIEISA-N |
LogP: | 3.00658 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021009306-A1 | Improved process for preparing ozanimod | 20190716 |
WO-2020115200-A1 | Improved process for preparing ozanimod | 20181207 |
WO-2020064818-A1 | Process for the preparation of sphingosine-1-phosphate receptor agonist | 20180925 |
WO-2020053334-A1 | A process for the preparation of ozanimod and its intermediate (s)-1-amino-2,3-dihydro-1h-indene-4-carbonitrile | 20180912 |
AU-2019338657-A1 | A process for the preparation of Ozanimod and its intermediate (S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile | 20180912 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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