O-2-Propynylhydroxylamine hydrochloride , CAS No.21663-79-6

CAS: 21663-79-6 Cat. No.: O168633 Molecular Weight: 107.54 EC Number: 803-169-6
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Synonyms
DTXSID00542379 | FT-0686047 | MFCD12912207 | AKOS005254536 | WAA66379 | (S)-1-Phenyl-1-pentanol, ee 91% | SB35454 | SCHEMBL874919 | O-(prop-2-ynyl)hydroxylamine hydrochloride | O-(2-propynyl)hydroxylamine hydrochloride | O-2-Propynylhydroxylamine hydrochl
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
O168633-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$83.90
1g
O168633-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$273.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID00542379 | FT-0686047 | MFCD12912207 | AKOS005254536 | WAA66379 | (S)-1-Phenyl-1-pentanol, ee 91% | SB35454 | SCHEMBL874919 | O-(prop-2-ynyl)hydroxylamine hydrochloride | O-(2-propynyl)hydroxylamine hydrochloride | O-2-Propynylhydroxylamine hydrochl
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesC#CCON.Cl
IUPAC NameO-prop-2-ynylhydroxylamine;hydrochloride
InChIKeyCEFBXYRCGUITCZ-UHFFFAOYSA-N
INCHI1S/C3H5NO.ClH/c1-2-3-5-4;/h1H,3-4H2;1H
Isomeric SMILES C#CCON.Cl
Molecular Weight 107.54
Reaxy-Rn 4256647
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4256647&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAcetylides
ClassNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAcetylides
Alternative Parents Organooxygen compounds  Organic nitrogen compounds  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acetylide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight107.540 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass107.014 Da
Monoisotopic Mass107.014 Da
Topological Polar Surface Area35.300 Ų
Heavy Atom Count6
Formal Charge0
Complexity51.200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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