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3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanenitrile

Compound number:
MolPort-004-338-469
CAS number: 17613-25-1
IUPAC:
3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanenitrile
IUPAC traditional:
3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile
SMILES:
O=C(CC#N)N1CCc2ccccc2C1
InChI key:
WLRMVYFXUPKXBY-UHFFFAOYSA-N
Molecular formula: C12H12N2O
Molecular weight: 200.241

Marketplace Offers

S&H to USA: 110.00 USD
S&H to World: 110.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 10 business days Purity: >90%
Last updated: this week In warehouse: 390.00 mg
Pack size Ships out Price Qty
1 mg December 5, 2018 38.00 USD
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2 mg December 5, 2018 42.00 USD
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5 mg December 5, 2018 55.00 USD
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S&H to USA: 50.00 USD
S&H to World: 120.00 USD

Supplier Catalogue Data


Catalog: Made to order Ships out: 40 business days Purity: n/a
In warehouse: Made to order
Pack size Ships out Price Qty
1 g January 16, 2019 285.00 USD
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2.5 g January 16, 2019 591.00 USD
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5 g January 16, 2019 746.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-004-338-469
CAS number: 17613-25-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000005328108
MFCD00278218
2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl cyanide
3-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-oxo-propionitrile
3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropanenitrile
3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanenitrile

InChI
InChI: 1S/C12H12N2O/c13-7-5-12(15)14-8-6-10-3-1-2-4-11(10)9-14/h1-4H,5-6,8-9H2
InChI key: WLRMVYFXUPKXBY-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C12H12N2O
Molecular weight: 200.241

Scaffolds

Other

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2018 MolPort, v2.61, release date 09-11-2018 09:00 (+0200). All rights reserved.
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