tert-Butyl Ethyl(pyrrolidin-3-yl)carbamate - CAS 1120357-23-4

Catalog:	BB002852
Product Name:	tert-Butyl Ethyl(pyrrolidin-3-yl)carbamate
CAS:	1120357-23-4
Synonyms:	N-ethyl-N-(3-pyrrolidinyl)carbamic acid tert-butyl ester; tert-butyl N-ethyl-N-pyrrolidin-3-ylcarbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-ethyl-N-pyrrolidin-3-ylcarbamate
Description:	tert-Butyl Ethyl(pyrrolidin-3-yl)carbamate (CAS# 1120357-23-4) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CCN(C1CCNC1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H22N2O2/c1-5-13(9-6-7-12-8-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key:	YSSKLKKEUPUEEM-UHFFFAOYSA-N
LogP:	1.93410

Publication Number	Title	Priority Date
WO-2019074809-A1	INDAZOLYL-SPIRO [2.2] PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF	20171011
US-2011201599-A1	CDK Modulators	20080703
WO-2010003133-A2	Cdk modulators	20080703

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	223
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	4
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2