4-(4-Chlorobutyl)morpholine hydrochloride - CAS 98997-74-1
Catalog: |
BB042240 |
Product Name: |
4-(4-Chlorobutyl)morpholine hydrochloride |
CAS: |
98997-74-1 |
Synonyms: |
4-(4-chlorobutyl)morpholine;hydrochloride |
IUPAC Name: | 4-(4-chlorobutyl)morpholine;hydrochloride |
Description: | 4-(4-Chlorobutyl)morpholine hydrochloride (CAS# 98997-74-1 ) is a useful research chemical. |
Molecular Weight: | 214.13 |
Molecular Formula: | C8H16ClNO · HCl |
Canonical SMILES: | C1COCCN1CCCCCl.Cl |
InChI: | InChI=1S/C8H16ClNO.ClH/c9-3-1-2-4-10-5-7-11-8-6-10;/h1-8H2;1H |
InChI Key: | GVGLBMSAGIOHOA-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.07750 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P313, P362+P364, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020127194-A1 | Anticancer compounds | 20181217 |
EP-3898613-A1 | Anticancer compounds | 20181217 |
KR-20210104791-A | anticancer compound | 20181217 |
JP-2008231030-A | New pharmaceutical uses of indole compounds and new indole compounds | 20070320 |
Complexity: | 94.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0687196 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0687196 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 12.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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