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Propargylamine hydrochloride

Propargylamine hydrochloride - CAS 15430-52-1

Catalog:	BB010999
Product Name:	Propargylamine hydrochloride
CAS:	15430-52-1
Synonyms:	prop-2-yn-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	prop-2-yn-1-amine;hydrochloride
Description:	Propargylamine hydrochloride (CAS# 15430-52-1) is a useful intermediates in the preparation of drugs or pesticides.
Molecular Weight:	91.54
Molecular Formula:	C3H6ClN
Canonical SMILES:	C#CCN.Cl
InChI:	InChI=1S/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H
InChI Key:	IKXNIQJDNKPPCH-UHFFFAOYSA-N
Boiling Point:	83 °C at 760 mmHg
Melting Point:	178-182 °C
Purity:	95 %
Density:	0.846 g/cm³
Appearance:	White or yellowish crystaline
Storage:	0-6 °C
MDL:	MFCD00012907
LogP:	1.08060

Publication Number	Title	Priority Date
US-2015291597-A1	Novel orally bioavailable breathing control modulating compounds, and methods of using same	20121115
US-2014024776-A1	High molecular weight zwitterion-containing polymers	20100415
US-2013045522-A1	Multifunctional zwitterionic polymer conjugates	20091218
US-2011218360-A1	Preparation of rasagiline and salts thereof	20081120
US-2011152285-A1	Pyrrole antifungal agents	20080424

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GHS Hazard Statement:	H301 (97.78%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	38.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	91.0188769
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	91.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0