1,3-Diamino-2-propanol - CAS 616-29-5

Catalog:	BB031203
Product Name:	1,3-Diamino-2-propanol
CAS:	616-29-5
Synonyms:	1,3-diaminopropan-2-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-diaminopropan-2-ol
Description:	1,3-Diamino-2-propanol (CAS# 616-29-5) is a reagent used in the quantitative fluorescent detection of pyrophosphate with quinolin-ligated dinuclear zinc complexes.
Molecular Weight:	90.12
Molecular Formula:	C3H10N2O
Canonical SMILES:	C(C(CN)O)N
InChI:	InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
InChI Key:	UYBWIEGTWASWSR-UHFFFAOYSA-N
Boiling Point:	236.6 °C at 760 mmHg
Purity:	95 %
Density:	1.081 g/cm³
Appearance:	White to yellowish low melting solid
MDL:	MFCD00008142
LogP:	-0.33470

Publication Number	Title	Priority Date
CN-113457382-A	Low-viscosity CO2Trapping mixed absorbent formulation	20210722
CN-113289457-A	Method for removing chloralkane compound by using porous organic small molecule liquid material	20210531
CN-113332832-A	Method for removing chlorobenzene compounds by using porous organic micromolecular liquid material	20210531
CN-113350970-A	Porous organic small molecule liquid absorbent, preparation method and application	20210531
CN-113358775-A	Method for deeply removing chlorobenzene compounds by using porous organic micromolecular liquid material	20210531

PMID	Publication Date	Title	Journal
23022611	20121201	Structure, DNA binding and cleavage of a new Zn(II)Mn(II) macrocyclic complex	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22233278	20120220	Versatile chemical transformations of benzoxazole based ligands on complexation with 3d-metal ions	Inorganic chemistry
21782431	20111115	Monosubstituted γ-lactam and conformationally constrained 1,3-diaminopropan-2-ol transition-state isostere inhibitors of β-secretase (BACE)	Bioorganic & medicinal chemistry letters
21936055	20111101	Preparation and characterization of affinity sorbents based on isoalloxazine-like ligands for separation of flavoenzymes	Journal of separation science
21479167	20110330	Impact of quenching failure of Cy dyes in differential gel electrophoresis	PloS one

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Oxygen Compounds

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GHS Hazard Statement:	H315 (95.65%): 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:	28
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	90.079312947
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	90.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.3