2-(1,4-Diazepan-1-yl)ethanol - CAS 53427-65-9
Catalog: |
BB028213 |
Product Name: |
2-(1,4-Diazepan-1-yl)ethanol |
CAS: |
53427-65-9 |
Synonyms: |
2-(1,4-diazepan-1-yl)ethanol; 2-(1,4-diazepan-1-yl)ethanol |
IUPAC Name: | 2-(1,4-diazepan-1-yl)ethanol |
Description: | 2-(1,4-Diazepan-1-yl)ethanol (CAS# 53427-65-9) is a useful research chemical. |
Molecular Weight: | 144.21 |
Molecular Formula: | C7H16N2O |
Canonical SMILES: | C1CNCCN(C1)CCO |
InChI: | InChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2 |
InChI Key: | IXKNVDAHLCFGCV-UHFFFAOYSA-N |
Boiling Point: | 116-120 °C |
Density: | 0.985 g/cm3 |
MDL: | MFCD01565842 |
LogP: | -0.45930 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019018186-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE | 20170717 |
US-2020281913-A1 | Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof | 20170717 |
EP-3600327-A1 | Heterocyclic compound | 20170327 |
WO-2018183112-A1 | Heterocyclic compound | 20170327 |
AU-2017283790-B2 | Substituted pyridines as inhibitors of DNMT1 | 20160613 |
Complexity: | 87.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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