1-(3-Bromophenyl)cyclobutanamine - CAS 1098349-39-3

Catalog:	BB002552
Product Name:	1-(3-Bromophenyl)cyclobutanamine
CAS:	1098349-39-3
Synonyms:	1-(3-bromophenyl)-1-cyclobutanamine; 1-(3-bromophenyl)cyclobutan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(3-bromophenyl)cyclobutan-1-amine
Description:	1-(3-Bromophenyl)cyclobutanamine (CAS# 1098349-39-3) is a useful research chemical.
Molecular Weight:	226.11
Molecular Formula:	C10H12BrN
Canonical SMILES:	C1CC(C1)(C2=CC(=CC=C2)Br)N
InChI:	InChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2
InChI Key:	WIXMLWFYSVFSNY-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	3.48730

Publication Number	Title	Priority Date
US-2020102288-A1	Wdr5 inhibitors and modulators	20180614
US-10844044-B2	WDR5 inhibitors and modulators	20180614
WO-2017065473-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
EP-2763990-A1	Pyrrolopyrazine kinase inhibitors	20110901
EP-2763990-B1	Pyrrolopyrazine kinase inhibitors	20110901

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.01531
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.01531
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2