(±)-3-Amino-1,2-propanediol - CAS 616-30-8

Catalog:	BB031204
Product Name:	(±)-3-Amino-1,2-propanediol
CAS:	616-30-8
Synonyms:	3-aminopropane-1,2-diol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-aminopropane-1,2-diol
Description:	(±)-3-Amino-1,2-propanediol (CAS# 616-30-8) is used in the synthesis of Decarbazolyl Carvedilol (D212720), a metabolite of Carvedilol (C184625) found in humans, rats, dogs and mice.
Molecular Weight:	91.11
Molecular Formula:	C3H9NO2
Canonical SMILES:	C(C(CO)O)N
InChI:	InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
InChI Key:	KQIGMPWTAHJUMN-UHFFFAOYSA-N
Boiling Point:	264-265 °C (739 mmHg)
Density:	1.175 g/cm³
Appearance:	Liquid
LogP:	-1.00140

Publication Number	Title	Priority Date
CN-113501769-A	Diatrizoic acid derivative contrast agent for improving biological tolerance and preparation method thereof	20210525
KR-102301101-B1	Cosmetic composition comprising natural oils and natural extracts	20210405
CN-113061117-A	2- ((5-chloro-2- (4-morpholine methylanilino) pyrimidine-4-yl) amino) benzamide derivative	20210330
CN-113087462-A	Waterproof anti-cracking insulation board plastering mortar and preparation method thereof	20210329
CN-112961415-A	Modified butyronitrile latex for gloves and preparation method thereof	20210322

PMID	Publication Date	Title	Journal
22560439	20120601	A new nanoprobe based on FRET between functional quantum dots and gold nanoparticles for fluoride anion and its applications for biological imaging	Biosensors & bioelectronics
20485595	20100209	Synthetic incorporation of Nile Blue into DNA using 2'-deoxyriboside substitutes: Representative comparison of (R)- and (S)-aminopropanediol as an acyclic linker	Beilstein journal of organic chemistry
19834941	20091123	Chiral 2-endo-substituted 9-oxabispidines: novel ligands for enantioselective copper(II)-catalyzed Henry reactions	Chemistry (Weinheim an der Bergstrasse, Germany)
19220008	20090318	Comparison of a nucleosidic vs non-nucleosidic postsynthetic 'click' modification of DNA with base-labile fluorescent probes	Bioconjugate chemistry
17924372	20071101	Simultaneous chiral resolution of monosaccharides as 8-aminonaphthalene-1,3,6-trisulfonate derivatives by ligand-exchange CE using borate as a central ion of the chiral selector	Electrophoresis

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Related Functional Groups

Oxygen Compounds

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[2960-93-2]
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GHS Hazard Statement:	H314 (85.53%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	32
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	91.063328530
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	91.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-2