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3-(N-Boc-N-methylamino)-1-(methylamino)propane

3-(N-Boc-N-methylamino)-1-(methylamino)propane - CAS 123183-72-2

Catalog:	BB005636
Product Name:	3-(N-Boc-N-methylamino)-1-(methylamino)propane
CAS:	123183-72-2
Synonyms:	N-methyl-N-[3-(methylamino)propyl]carbamic acid tert-butyl ester; tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamate
Description:	3-(N-Boc-N-methylamino)-1-(methylamino)propane (CAS# 123183-72-2) is a useful research chemical.
Molecular Weight:	202.29
Molecular Formula:	C10H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N(C)CCCNC
InChI:	InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(5)8-6-7-11-4/h11H,6-8H2,1-5H3
InChI Key:	QRXUKURKZNOVAF-UHFFFAOYSA-N
LogP:	1.85370

Publication Number	Title	Priority Date
US-2021238134-A1	Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide	20200203
WO-2021158707-A1	Methods and compounds for the treatment of genetic disease	20200203
WO-2020254602-A1	Conjugates of an electron-donating nitrogen or tertiary amine comprising compounds	20190621
WO-2020113233-A1	Irak degraders and uses thereof	20181130
CN-113423427-A	IRAK degrading agents and uses thereof	20181130

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.168127949
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.168127949
Rotatable Bond Count:	6
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1