(S)-4-Boc-piperazine-2-acetonitrile - CAS 1589082-06-3
Catalog: |
BB011473 |
Product Name: |
(S)-4-Boc-piperazine-2-acetonitrile |
CAS: |
1589082-06-3 |
Synonyms: |
3-(cyanomethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-(cyanomethyl)piperazine-1-carboxylate |
Ordering Information
Catalog |
Size |
Price |
Stock |
BB011473 |
1 g |
$519 |
In stock |
IUPAC Name: | tert-butyl (3S)-3-(cyanomethyl)piperazine-1-carboxylate |
Description: | (S)-4-Boc-piperazine-2-acetonitrile (CAS# 1589082-06-3 ) is a useful research chemical. |
Molecular Weight: | 225.29 |
Molecular Formula: | C11H19N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)CC#N |
InChI: | InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14-7-6-13-9(8-14)4-5-12/h9,13H,4,6-8H2,1-3H3 |
InChI Key: | PQMGXPIFQIFJEX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-113087700-A | Spirocyclic tetrahydroquinazolines | 20200108 |
US-2021230174-A1 | Spirocyclic tetrahydroquinazolines | 20200108 |
WO-2021108683-A1 | Covalent ras inhibitors and uses thereof | 20191127 |
TW-201938555-A | KRAS G12C inhibitor | 20171115 |
US-10689377-B2 | KRas G12C inhibitors | 20171115 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.147726857 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.147726857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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