1-(Boc-amino)-1-aminomethyl cyclohexane - CAS 864943-63-5

Catalog:	BB037959
Product Name:	1-(Boc-amino)-1-aminomethyl cyclohexane
CAS:	864943-63-5
Synonyms:	tert-butyl N-[1-(aminomethyl)cyclohexyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[1-(aminomethyl)cyclohexyl]carbamate
Description:	1-(Boc-amino)-1-aminomethyl cyclohexane (CAS# 864943-63-5) is a useful research chemical.
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1(CCCCC1)CN
InChI:	InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3,(H,14,15)
InChI Key:	FSRHJVGZHRVXDX-UHFFFAOYSA-N
Boiling Point:	337.489 ℃ at 760 mmHg
Purity:	95 %
Density:	1.021 g/cm³
MDL:	MFCD06660460
LogP:	3.26390

Publication Number	Title	Priority Date
WO-2020041770-A1	Improved synthesis of 1,4-diazaspiro[5.5]undecan-3-one	20180824
EP-3840756-A1	Improved synthesis of 1,4-diazaspiro[5.5]undecan-3-one	20180824
US-2021179567-A1	Synthesis of 1,4-diazaspiro[5.5]undecan-3-one	20180824
EP-3472141-A1	Anti-infective agents	20160620
JP-2019522048-A	Anti-infective	20160620

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GHS Hazard Statement:	H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.183778013
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.183778013
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6