N1-Boc-N1,N2-dimethyl-1,2-ethanediamine - CAS 112257-19-9

Catalog:	BB002911
Product Name:	N1-Boc-N1,N2-dimethyl-1,2-ethanediamine
CAS:	112257-19-9
Synonyms:	N-methyl-N-[2-(methylamino)ethyl]carbamic acid tert-butyl ester; tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
Description:	N1-Boc-N1,N2-dimethyl-1,2-ethanediamine (CAS# 112257-19-9) is a useful research chemical.
Molecular Weight:	188.27
Molecular Formula:	C9H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N(C)CCNC
InChI:	InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3
InChI Key:	DFVRUHANEXOZGT-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	1.46360

Publication Number	Title	Priority Date
CN-112209990-A	Combretastatin derivative and antibody drug conjugate thereof	20201110
US-2021238134-A1	Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide	20200203
WO-2021102361-A1	Caspase 6 inhibitors and uses thereof	20191122
CN-110845474-A	Target I-type PRMT compound and preparation method and application thereof	20191107
CN-110845474-B	Target I-type PRMT compound and preparation method and application thereof	20191107

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.152477885
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.152477885
Rotatable Bond Count:	5
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7