3-(Aminomethyl)azetidine Dihydrochloride - CAS 221095-80-3

Catalog:	BB017382
Product Name:	3-(Aminomethyl)azetidine Dihydrochloride
CAS:	221095-80-3
Synonyms:	3-azetidinylmethanamine;dihydrochloride; azetidin-3-ylmethanamine;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	azetidin-3-ylmethanamine;dihydrochloride
Description:	3-(Aminomethyl)azetidine Dihydrochloride (CAS# 221095-80-3) is a useful research chemical.
Molecular Weight:	159.06
Molecular Formula:	C4H12Cl2N2
Canonical SMILES:	C1C(CN1)CN.Cl.Cl
InChI:	InChI=1S/C4H10N2.2ClH/c5-1-4-2-6-3-4;;/h4,6H,1-3,5H2;2*1H
InChI Key:	QQAHPBUCLORFBD-UHFFFAOYSA-N
MDL:	MFCD13248562
LogP:	0.99560

Publication Number	Title	Priority Date
JP-H1135555-A	Aminomethyl cyclic amine compounds and pharmaceuticals containing the same	19970723
AU-5014499-A	Pyridonecarboxylic acid derivative	19950922
CA-2232728-C	Novel pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components	19950922
CA-2290709-C	2,6-diaminopyridine compounds as intermediates for producing antibacterial dihydropyridone carboxylic acid derivatives	19950922
CA-2290712-C	Novel pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components	19950922

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	40.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0377538
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	158.0377538
Rotatable Bond Count:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0