1-Phenylcyclobutanamine Hydrochloride - CAS 120218-45-3

Catalog:	BB004756
Product Name:	1-Phenylcyclobutanamine Hydrochloride
CAS:	120218-45-3
Synonyms:	1-phenyl-1-cyclobutanamine;hydrochloride; 1-phenylcyclobutan-1-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-phenylcyclobutan-1-amine;hydrochloride
Description:	1-Phenylcyclobutanamine Hydrochloride (CAS# 120218-45-3) is a useful research chemical.
Molecular Weight:	183.68
Molecular Formula:	C10H14ClN
Canonical SMILES:	C1CC(C1)(C2=CC=CC=C2)N.Cl
InChI:	InChI=1S/C10H13N.ClH/c11-10(7-4-8-10)9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,11H2;1H
InChI Key:	IFVYFMNCNFMBGV-UHFFFAOYSA-N
Boiling Point:	270.9 °C at 760 mmHg
Storage:	Inert atmosphere, Room Temperature
LogP:	3.52680

Publication Number	Title	Priority Date
AU-2018318075-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
CA-3072671-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
CN-111225900-A	3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use	20170814
KR-20200037857-A	3,4-disubstituted 3-cyclobutene-1,2-dione and uses thereof	20170814
US-2019047947-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0814771
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.0814771
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0