4-(Boc-aminomethyl)piperidine - CAS 135632-53-0

Catalog:	BB008229
Product Name:	4-(Boc-aminomethyl)piperidine
CAS:	135632-53-0
Synonyms:	N-(4-piperidinylmethyl)carbamic acid tert-butyl ester; tert-butyl N-(piperidin-4-ylmethyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(piperidin-4-ylmethyl)carbamate
Description:	4-(Boc-aminomethyl)piperidine (CAS# 135632-53-0) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCNCC1
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChI Key:	VHYXAWLOJGIJPC-UHFFFAOYSA-N
Boiling Point:	321.8 °C at 760 mmHg
Density:	0.981 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	2.23040

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
CN-113024508-A	Nitrogen heterocyclic ring derivative and preparation method and application thereof	20191225
US-2021188828-A1	Compounds active towards nuclear receptors	20191220
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
WO-2021108683-A1	Covalent ras inhibitors and uses thereof	20191127

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H314 (17.02%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2