2-(Boc-aminomethyl)pyrrolidine - CAS 149649-58-1

Catalog:	BB010431
Product Name:	2-(Boc-aminomethyl)pyrrolidine
CAS:	149649-58-1
Synonyms:	N-(2-pyrrolidinylmethyl)carbamic acid tert-butyl ester; tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate
Description:	2-(Boc-aminomethyl)pyrrolidine (CAS# 149649-58-1) is a useful research chemical.
Molecular Weight:	200.28
Molecular Formula:	C10H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCCN1
InChI:	InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChI Key:	DPJPFGHHTJLWQQ-UHFFFAOYSA-N
Boiling Point:	303.9 °C at 760 mmHg
Density:	0.997 g/cm³
Appearance:	Liquid or low mp solid
MDL:	MFCD06658352
LogP:	1.98280

Publication Number	Title	Priority Date
WO-2021194318-A1	Plk1 selective degradation inducing compound	20200327
CN-112538083-A	Aromatic ring and five-membered aromatic heterocyclic micromolecule organic compound targeting BCL6, derivatives thereof and application thereof	20190923
US-2021309657-A1	Tricyclic compounds for the treatment and prophylaxis of bacterial infection	20181127
US-2020048241-A1	Benzothiazole compounds and uses thereof	20180808
US-10899755-B2	Benzothiazole compounds and uses thereof	20180808

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Related Functional Groups

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1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
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4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
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tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
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1-(5-Bromopentyl)pyrrolidine Hydrobromide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.152477885
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.152477885
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1