4,4-Difluoropiperidine-1-ethanamine - CAS 605659-03-8

Catalog:	BB030736
Product Name:	4,4-Difluoropiperidine-1-ethanamine
CAS:	605659-03-8
Synonyms:	2-(4,4-difluoro-1-piperidinyl)ethanamine; 2-(4,4-difluoropiperidin-1-yl)ethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4,4-difluoropiperidin-1-yl)ethanamine
Description:	4,4-Difluoropiperidine-1-ethanamine (CAS# 605659-03-8 ) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C7H14F2N2
Canonical SMILES:	C1CN(CCC1(F)F)CCN
InChI:	InChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2
InChI Key:	BVYNFUYPUXPMCI-UHFFFAOYSA-N
Boiling Point:	196.5 °C at 760 mmHg
Density:	1.11 g/cm³
LogP:	1.31440

Publication Number	Title	Priority Date
CN-110950807-A	Biaryl compound, preparation method thereof, pharmaceutical composition and application thereof	20180926
AU-2018317828-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
AU-2018317836-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
CA-3073108-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
CA-3073113-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815

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Related Functional Groups

Piperidines

[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[625106-78-7]
Ethyl 1-[(3-nitrophenyl)sulfonyl]piperidine-4-carboxylate
[1185108-00-2]
Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.11250478
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.11250478
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5