1-Cbz-2-(aminomethyl)piperidine - CAS 811842-18-9

Catalog:	BB036623
Product Name:	1-Cbz-2-(aminomethyl)piperidine
CAS:	811842-18-9
Synonyms:	2-(aminomethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 2-(aminomethyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl 2-(aminomethyl)piperidine-1-carboxylate
Description:	1-Cbz-2-(aminomethyl)piperidine (CAS# 811842-18-9) is a useful research chemical.
Molecular Weight:	248.32
Molecular Formula:	C14H20N2O2
Canonical SMILES:	C1CCN(C(C1)CN)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2
InChI Key:	WCYNFVPSBDRYJU-UHFFFAOYSA-N
Boiling Point:	385.7 °C at 760 mmHg
Density:	1.125 g/cm³
LogP:	2.77460

Publication Number	Title	Priority Date
US-2012295834-A1	Opioid Prodrugs with Heterocyclic Linkers	20110309
US-2014121152-A1	Active Agent Prodrugs with Heterocyclic Linkers	20110309
US-2014206597-A1	Opioid Prodrugs with Heterocyclic Linkers	20110309
US-2016002291-A1	Active Agent Prodrugs with Heterocyclic Linkers	20110309
US-9095627-B2	Opioid prodrugs with heterocyclic linkers	20110309

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.152477885
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	248.152477885
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6