Propylamine hydrochloride - CAS 556-53-6

Catalog:	BB029119
Product Name:	Propylamine hydrochloride
CAS:	556-53-6
Synonyms:	propan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	propan-1-amine;hydrochloride
Description:	Propylamine hydrochloride (CAS# 556-53-6) is a useful research chemical.
Molecular Weight:	95.57
Molecular Formula:	C3H10ClN
Canonical SMILES:	CCCN.Cl
InChI:	InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
InChI Key:	PYNUOAIJIQGACY-UHFFFAOYSA-N
Boiling Point:	46.9 ℃ at 760 mmHg
Melting Point:	164 ℃
Purity:	> 98.0 % (T) (N)
Appearance:	White to almost white powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00012911
LogP:	1.85740

Publication Number	Title	Priority Date
CN-113416275-A	Room-temperature self-crosslinking cationic polymer emulsion, preparation method thereof and water-based paint containing emulsion	20210619
CN-113303555-A	Deodorization playshoes capable of reducing peculiar smell	20210616
CN-112850868-A	Degradable single-dosage paint mist coagulant and preparation method thereof	20210221
CN-112535654-A	Preparation method of mask with water locking effect	20201202
CN-112374704-A	Biological decolorization process for pesticide wastewater	20201201

PMID	Publication Date	Title	Journal
21895008	20111020	Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water	The journal of physical chemistry. B
14656114	20031212	Molecular recognition of alkylammonium contact ion-pairs using a ditopic receptor	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	7.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.0501770
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	95.0501770
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0