3-(Boc-aminomethyl)azetidine Hydrochloride - CAS 1170108-38-9

Name: 3-(Boc-aminomethyl)azetidine Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003833
Product Name:	3-(Boc-aminomethyl)azetidine Hydrochloride
CAS:	1170108-38-9
Synonyms:	N-(3-azetidinylmethyl)carbamic acid tert-butyl ester;hydrochloride; tert-butyl N-(azetidin-3-ylmethyl)carbamate;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(azetidin-3-ylmethyl)carbamate;hydrochloride
Description:	3-(Boc-aminomethyl)azetidine Hydrochloride (CAS# 1170108-38-9) is a useful research chemical.
Molecular Weight:	222.71
Molecular Formula:	C9H19ClN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CNC1.Cl
InChI:	InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-6-7-4-10-5-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H
InChI Key:	FLSTVGQJEDAWCH-UHFFFAOYSA-N
LogP:	2.06570

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[2241982-86-3]C9H6ND3
3-(Phenyl-2-D)propanenitrile-2,2-D2
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[5071-96-5]C8H11NO
3-Methoxybenzylamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.1135055
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	222.1135055
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0