[1-(Aminomethyl)cyclobutyl]methanol - CAS 2041-56-7

Catalog:	BB015907
Product Name:	[1-(Aminomethyl)cyclobutyl]methanol
CAS:	2041-56-7
Synonyms:	[1-(aminomethyl)cyclobutyl]methanol; [1-(aminomethyl)cyclobutyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[1-(aminomethyl)cyclobutyl]methanol
Description:	[1-(Aminomethyl)cyclobutyl]methanol (CAS# 2041-56-7) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	C1CC(C1)(CN)CO
InChI:	InChI=1S/C6H13NO/c7-4-6(5-8)2-1-3-6/h8H,1-5,7H2
InChI Key:	ZDGSQIAVDXICTE-UHFFFAOYSA-N
Boiling Point:	194.229 °C at 760 mmHg
Density:	1.022 g/cm³
MDL:	MFCD09864389
LogP:	0.80800

Publication Number	Title	Priority Date
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
WO-2020157189-A1	1,2,4-triazin-6(1h)-one compounds for the treatment of hyperproliferative diseases	20190201
WO-2020157194-A1	1,2,4-triazin-3(2h)-one compounds for the treatment of hyperproliferative diseases	20190201
WO-2020157199-A1	Annulated dihydropyridazinone compounds as anti-cancer compounds	20190201
WO-2020157201-A1	Oxadiazinone compounds for the treatment of hyperproliferative diseases	20190201

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3