1-[Bis(2-hydroxybutyl)amino]-2-butanol - CAS 2421-02-5

Catalog:	BB018373
Product Name:	1-[Bis(2-hydroxybutyl)amino]-2-butanol
CAS:	2421-02-5
Synonyms:	1-[bis(2-hydroxybutyl)amino]-2-butanol; 1-[bis(2-hydroxybutyl)amino]butan-2-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[bis(2-hydroxybutyl)amino]butan-2-ol
Description:	1-[Bis(2-hydroxybutyl)amino]-2-butanol (CAS# 2421-02-5 ) is a useful research chemical.
Molecular Weight:	233.35
Molecular Formula:	C12H27NO3
Canonical SMILES:	CCC(CN(CC(CC)O)CC(CC)O)O
InChI:	InChI=1S/C12H27NO3/c1-4-10(14)7-13(8-11(15)5-2)9-12(16)6-3/h10-12,14-16H,4-9H2,1-3H3
InChI Key:	BFIAIMMAHAIVFT-UHFFFAOYSA-N
Boiling Point:	376.5 °C at 760 mmHg
Density:	1.025 g/cm³
LogP:	0.60590

Publication Number	Title	Priority Date
US-2021108141-A1	Quinone methide and ammonium salt antipolymerant composition and method	20191011
WO-2021072181-A1	Quinone methide and ammonium salt antipolymerant composition and method	20191011
WO-2021071980-A1	Methods and compositions for treatment of concrete reclaimed water	20191007
KR-20210024915-A	Wrinkle Free Fabric of eliminating dust easily	20190826
EP-3725756-A2	Compositions with improved urease-inhibiting effect comprising amines, or colorants, and an adduct of the three compounds n-(n-butyl) thiophosphoric acid triamide (nbpt), urea, and formaldehyde	20190418

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.19909372
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	233.19909372
Rotatable Bond Count:	9
Topological Polar Surface Area:	63.9
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1