N1-Boc-N1-methyl-1,4-butanediamine - CAS 144222-23-1

Catalog:	BB009741
Product Name:	N1-Boc-N1-methyl-1,4-butanediamine
CAS:	144222-23-1
Synonyms:	N-(4-aminobutyl)-N-methylcarbamic acid tert-butyl ester; tert-butyl N-(4-aminobutyl)-N-methylcarbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(4-aminobutyl)-N-methylcarbamate
Description:	N1-Boc-N1-methyl-1,4-butanediamine (CAS# 144222-23-1) is a useful research chemical.
Molecular Weight:	202.29
Molecular Formula:	C10H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N(C)CCCCN
InChI:	InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3
InChI Key:	CIZQQISFIQZTDF-UHFFFAOYSA-N
Boiling Point:	254.609 °C at 760 mmHg
Density:	0.983 g/cm³
LogP:	2.29250

Publication Number	Title	Priority Date
WO-2020138015-A1	Pyrazolo[1,5-a]pyrimidine macrocyclic compound	20181227
AU-2016225000-A1	Inhibition of Olig2 activity	20150227
EP-3261631-A1	Inhibition of olig2 activity	20150227
JP-2018510138-A	Inhibition of OLIG2 activity	20150227
KR-20170129785-A	Inhibition of OLIG2 activity	20150227

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Carbonyl Compounds

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2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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:	55.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9