N-Boc-cycloleucinal - CAS 168539-99-9
Catalog: |
BB012478 |
Product Name: |
N-Boc-cycloleucinal |
CAS: |
168539-99-9 |
Synonyms: |
tert-butyl N-(1-formylcyclopentyl)carbamate |
IUPAC Name: | tert-butyl N-(1-formylcyclopentyl)carbamate |
Description: | N-Boc-cycloleucinal (CAS# 168539-99-9 ) is a useful research chemical. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1(CCCC1)C=O |
InChI: | InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(8-13)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,14) |
InChI Key: | PJHYKFQYQMRNJR-UHFFFAOYSA-N |
Boiling Point: | 316.961 °C at 760 mmHg |
Density: | 1.062 g/cm3 |
MDL: | MFCD04973956 |
LogP: | 2.41370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019142126-A1 | Substituted alkynylene compounds as anticancer agents | 20180117 |
AU-2019208515-A1 | Substituted alkynylene compounds as anticancer agents | 20180117 |
CN-111902403-A | Substituted alkynylene compounds as anticancer agents | 20180117 |
EP-3740473-A1 | Substituted alkynylene compounds as anticancer agents | 20180117 |
IL-275766-D0 | Alkylene compounds are converted as anticancer substances | 20180117 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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