1-(Cbz-amino)cyclopropanecarbonitrile - CAS 1159735-22-4
Catalog: |
BB003665 |
Product Name: |
1-(Cbz-amino)cyclopropanecarbonitrile |
CAS: |
1159735-22-4 |
Synonyms: |
N-(1-cyanocyclopropyl)carbamic acid (phenylmethyl) ester; benzyl N-(1-cyanocyclopropyl)carbamate |
IUPAC Name: | benzyl N-(1-cyanocyclopropyl)carbamate |
Description: | 1-(Cbz-amino)cyclopropanecarbonitrile (CAS# 1159735-22-4) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | C1CC1(C#N)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H12N2O2/c13-9-12(6-7-12)14-11(15)16-8-10-4-2-1-3-5-10/h1-5H,6-8H2,(H,14,15) |
InChI Key: | OKPPFSCYFICDPU-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
LogP: | 2.35988 |
Publication Number | Title | Priority Date |
AU-2017315863-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
AU-2017315863-B2 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
AU-2020203499-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
CA-3033681-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
EP-3504212-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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