Adenine monohydrochloride - CAS 2922-28-3

Catalog:	BB020133
Product Name:	Adenine monohydrochloride
CAS:	2922-28-3
Synonyms:	Adenine hydrochloride; 6-Aminopurine hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	7H-purin-6-amine;hydrochloride
Description:	Adenine HCl is a hydrochloride salt form of adenine which is a purine derivative and a nucleobase with a variety of roles in biochemistry.
Molecular Weight:	171.59
Molecular Formula:	C5H5N5.HCl
Canonical SMILES:	C1=NC2=C(N1)C(=NC=N2)N.Cl
InChI:	InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
InChI Key:	UQVDQSWZQXDUJB-UHFFFAOYSA-N
Boiling Point:	553.5 °C at 760 mmHg
Purity:	> 98 %
Appearance:	White to off-white solid
Storage:	Cool and dry place.
LogP:	1.31830

Publication Number	Title	Priority Date
KR-102284800-B1	Medium composition for culturing animal cell for production of recombinant extracellular matrix proteins, and method using the same	20201230
CN-111705101-A	Ready-to-use trace component detection kit and preparation method thereof	20200615
CN-111705101-B	Ready-to-use trace component detection kit and preparation method thereof	20200615
CN-111518072-A	Genipin derivative with activity of promoting uric acid transport and preparation method thereof	20200529
US-2021259244-A1	Methods of improving stress tolerance, growth and yield in plants	20200220

PMID	Publication Date	Title	Journal
1545	19751101	Hybrid-versus-parental strain reaction. I. Comparative mortality in allogenetic and parental strain male and female mice	Journal of the National Cancer Institute

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Related Functional Groups

Purines

[309947-91-9]
2-(tert-Butoxycarbonylamino)-9H-purine-6(1H)-one
[177966-67-5]
N6-Isopentenyladenine hydrochloride
[700-49-2]
2-Fluoroadenine
[1904-98-9]
2,6-Diaminopurine
[15837-08-8]
3,9-Dimethylxanthine
[93703-24-3]
8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

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GHS Hazard Statement:	H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0311729
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	171.0311729
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0