Ethyl 6-isocyanatohexanoate - CAS 5100-36-7
Catalog: |
BB027290 |
Product Name: |
Ethyl 6-isocyanatohexanoate |
CAS: |
5100-36-7 |
Synonyms: |
ethyl 6-isocyanatohexanoate |
IUPAC Name: | ethyl 6-isocyanatohexanoate |
Description: | Ethyl 6-isocyanatohexanoate (CAS# 5100-36-7 ) is a useful research chemical. |
Molecular Weight: | 185.22 |
Molecular Formula: | C9H15NO3 |
Canonical SMILES: | CCOC(=O)CCCCCN=C=O |
InChI: | InChI=1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3 |
InChI Key: | ZCLBSYCOBSMTMV-UHFFFAOYSA-N |
Boiling Point: | 253 °C |
Density: | 1.032 g/cm3 |
MDL: | MFCD00078410 |
LogP: | 1.44570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021021535-A1 | Glucose-responsive insulin conjugates | 20190730 |
KR-20200000236-A | Unsaturated polyethyleneglycol with urethane bond and polycarboxylic acid type copolymer polymerized this for concrete admixture | 20180622 |
JP-2019151624-A | Saturated ring fused dihydropyrimidinone or dihydrotriazinone compound and pharmaceutical use thereof | 20180228 |
TW-202000652-A | Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof | 20180228 |
US-2019300490-A1 | Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof | 20180228 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.10519334 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 55.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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