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

Technical Data

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Computed Properties

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

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

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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

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