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meso-1,4-Diamino-2,3-butanediol dihydrochloride

meso-1,4-Diamino-2,3-butanediol dihydrochloride - CAS 20182-71-2

Catalog:	BB015694
Product Name:	meso-1,4-Diamino-2,3-butanediol dihydrochloride
CAS:	20182-71-2
Synonyms:	(2S,3R)-1,4-diaminobutane-2,3-diol;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(2S,3R)-1,4-diaminobutane-2,3-diol;dihydrochloride
Description:	meso-1,4-Diamino-2,3-butanediol dihydrochloride (CAS# 20182-71-2 ) is a useful research chemical.
Molecular Weight:	193.07
Molecular Formula:	C4H12N2O2 · 2HCl
Canonical SMILES:	C(C(C(CN)O)O)N.Cl.Cl
InChI:	InChI=1S/C4H12N2O2.2ClH/c5-1-3(7)4(8)2-6;;/h3-4,7-8H,1-2,5-6H2;2*1H/t3-,4+;;
InChI Key:	DUPMJOBILZRZTB-NDXJVULZSA-N
Boiling Point:	327.2 ℃ at 760 mmHg
Appearance:	Solid
MDL:	MFCD03095457
LogP:	0.63020

Publication Number	Title	Priority Date
CN-113165897-A	Compositions and methods for purifying metals from steelmaking waste streams	20181010
US-2018223392-A1	Compositions and methods for recovery of alkaline metals	20170209
US-2018116942-A1	Compositions for chemically treated hair	20161031
WO-2018081399-A1	Compositions for chemically treated hair	20161031
EP-3288520-A1	Use of active agents during chemical treatments	20150501

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	52
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	192.0432331
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	192.0432331
Rotatable Bond Count:	3
Topological Polar Surface Area:	92.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0