3-Phenylazetidine Hydrochloride - CAS 7606-30-6

Catalog:	BB035488
Product Name:	3-Phenylazetidine Hydrochloride
CAS:	7606-30-6
Synonyms:	3-phenylazetidine;hydrochloride; 3-phenylazetidine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-phenylazetidine;hydrochloride
Description:	3-Phenylazetidine Hydrochloride (CAS# 7606-30-6) is the acidic form of 3-Phenylazetidine (P319525), which is a substituted azetidine which shows analgesics and sympathomimetics effects.
Molecular Weight:	169.65
Molecular Formula:	C9H12ClN
Canonical SMILES:	C1C(CN1)C2=CC=CC=C2.Cl
InChI:	InChI=1S/C9H11N.ClH/c1-2-4-8(5-3-1)9-6-10-7-9;/h1-5,9-10H,6-7H2;1H
InChI Key:	AQGXRQBQWHYNMC-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.50420

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WO-2019209962-A1	Compounds and uses thereof	20180425

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Related Functional Groups

Azetidines

[1864803-36-0]
N,1-Di-Boc-3-(4-bromophenyl)-3-azetidinamine
[935669-28-6]
3-Methylazetidine Hydrochloride
[1466515-56-9]
3-Methylazetidine trifluoroacetic acid
[1313872-55-7]
1-Boc-3-[[(tert-butyl)sulfinyl]amino]-3-(4-bromophenyl)azetidine
[741287-55-8]
(azetidin-3-ylmethyl)dimethylamine hydrochloride
[1078166-51-4]
1-(tert-Butyl) 3-ethyl 3-(hydroxymethyl)azetidine-1,3-dicarboxylate

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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0658271
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.0658271
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0