3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride - CAS 1394042-17-1
Catalog: |
BB058430 |
Product Name: |
3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride |
CAS: |
1394042-17-1 |
Synonyms: |
3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride; 3-oxo-3-piperazin-1-ylpropanenitrile; hydrochloride; 3-oxo-3-(piperazin-1-yl)propanenitrilehydrochloride |
IUPAC Name: | 3-oxo-3-piperazin-1-ylpropanenitrilehydrochloride |
Description: | 3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride (cas# 1394042-17-1) is a useful research chemical. |
Molecular Weight: | 189.64 |
Molecular Formula: | C7H11N3O·HCl |
Canonical SMILES: | C1CN(CCN1)C(=O)CC#N.Cl |
InChI: | InChI=1S/C7H11N3O.ClH/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1,3-6H21H |
InChI Key: | CFNLENITWHTTII-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0668897 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0668897 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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