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Prop-2-ynylammonium chloride

CAT: 0127-OR27447-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR27447-01Size:1 g
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CAS Number
15430-52-1
Synonyms
Propargylamine hydrochloride
MDL Number
MFCD00012907
Purity
98%
Smiles
[Cl-].[NH3+]CC#C
Storage Conditions
Store at 2-8°C

Chemical Information

Prop-2-ynylamine hydrochloride
CAS Number15430-52-1
PubChem CID11205720
IUPAC Nameprop-2-yn-1-amine;hydrochloride
Molecular FormulaC3H6ClN
Molecular Weight91.54
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity38
SMILES
C#CCN.Cl
InChI
InChI=1S/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H
InChIKey
IKXNIQJDNKPPCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prop-2-ynylamine hydrochloride
CAS: 15430-52-1
CID: 11205720
Formula: C3H6ClN
MW: 91.54
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight91.54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass91.0188769
Monoisotopic Mass91.0188769
Topological Polar Surface Area26 Ų
Heavy Atom Count5
Formal Charge0
Complexity38.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes