Azetidine-3-carbonitrile Hydrochloride - CAS 345954-83-8

Catalog:	BB022193
Product Name:	Azetidine-3-carbonitrile Hydrochloride
CAS:	345954-83-8
Synonyms:	3-azetidinecarbonitrile;hydrochloride; azetidine-3-carbonitrile;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	azetidine-3-carbonitrile;hydrochloride
Description:	Azetidine-3-carbonitrile Hydrochloride (CAS# 345954-83-8) is a useful research chemical.
Molecular Weight:	118.56
Molecular Formula:	C4H7ClN2
Canonical SMILES:	C1C(CN1)C#N.Cl
InChI:	InChI=1S/C4H6N2.ClH/c5-1-4-2-6-3-4;/h4,6H,2-3H2;1H
InChI Key:	MJZQSPDYIKSJCN-UHFFFAOYSA-N
Boiling Point:	227.7 °C at 760 mmHg
MDL:	MFCD09749828
LogP:	0.86018

Publication Number	Title	Priority Date
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Related Functional Groups

Azetidines

[1638761-21-3]
tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
[54773-11-4]
ethyl 1-benzylazetidine-2-carboxylate
[935669-28-6]
3-Methylazetidine Hydrochloride
[1466515-56-9]
3-Methylazetidine trifluoroacetic acid
[1228230-92-9]
2-Azetidin-3-ylmethyl-pyridine trifluoroacetate
[2725774-28-5]
(2R,3S)-2-Methylazetidin-3-ol hydrochloride

GHS Hazard Statement:	H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P391, P405, and P501
Signal Word:	Danger

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.0297759
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	118.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0