1-Phenylcyclopentanamine - CAS 17380-74-4

Catalog:	BB012959
Product Name:	1-Phenylcyclopentanamine
CAS:	17380-74-4
Synonyms:	1-phenyl-1-cyclopentanamine; 1-phenylcyclopentan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	1-phenylcyclopentan-1-amine
Description:	1-Phenylcyclopentanamine (CAS# 17380-74-4) is a useful research chemical.
Molecular Weight:	161.24
Molecular Formula:	C11H15N
Canonical SMILES:	C1CCC(C1)(C2=CC=CC=C2)N
InChI:	InChI=1S/C11H15N/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2
InChI Key:	YXAQCAOJLDGGDZ-UHFFFAOYSA-N
MDL:	MFCD09903679
LogP:	3.11490

Publication Number	Title	Priority Date
US-2020276167-A1	Compositions and methods for treating brain injury	20170915
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
EP-3668832-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814

PMID	Publication Date	Title	Journal
21803585	20110901	Structure-guided design and synthesis of P1' position 1-phenylcycloalkylamine-derived pentapeptidic BACE1 inhibitors	Bioorganic & medicinal chemistry
17434739	20070615	Adaptive neuro-fuzzy inference system (ANFIS): a new approach to predictive modeling in QSAR applications: a study of neuro-fuzzy modeling of PCP-based NMDA receptor antagonists	Bioorganic & medicinal chemistry

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.120449483
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.120449483
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8