3-(Aminomethyl)-3-(Boc-amino)oxetane - CAS 1802048-96-9

Catalog:	BB013651
Product Name:	3-(Aminomethyl)-3-(Boc-amino)oxetane
CAS:	1802048-96-9
Synonyms:	N-[3-(aminomethyl)-3-oxetanyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(aminomethyl)oxetan-3-yl]carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-[3-(aminomethyl)oxetan-3-yl]carbamate
Description:	3-(Aminomethyl)-3-(Boc-amino)oxetane (CAS# 1802048-96-9) is a useful research chemical compound.
Molecular Weight:	202.25
Molecular Formula:	C9H18N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1(COC1)CN
InChI:	InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4-10)5-13-6-9/h4-6,10H2,1-3H3,(H,11,12)
InChI Key:	STTUTVYCMUOETH-UHFFFAOYSA-N
LogP:	1.33000

Publication Number	Title	Priority Date
AU-2015208244-A1	Process for the preparation of N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
AU-2015208244-B2	Process for the preparation of N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
EP-3097098-A1	Process for the preparation of n-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
EP-3097098-B1	Process for the preparation of n-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
EP-3248969-A1	Process for the preparation of n-[3-(aminomethyl)oxetan-3-yl]carbamate intermediates	20140124

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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:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.13174244
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.13174244
Rotatable Bond Count:	4
Topological Polar Surface Area:	73.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5