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3-(3-Amino-1,2,4-triazol-1-yl)propanoic acid hydrochloride

3-(3-Amino-1,2,4-triazol-1-yl)propanoic acid hydrochloride - CAS 1431963-70-0

Catalog:	BB052818
Product Name:	3-(3-Amino-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CAS:	1431963-70-0
Synonyms:	3-(3-amino-1H-1,2,4-triazol-1-yl)propanoicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride
Molecular Weight:	192.6
Molecular Formula:	C5H9ClN4O2
Canonical SMILES:	C1=NC(=NN1CCC(=O)O)N.Cl
InChI:	InChI=1S/C5H8N4O2.ClH/c6-5-7-3-9(8-5)2-1-4(10)11;/h3H,1-2H2,(H2,6,8)(H,10,11);1H
InChI Key:	PSGXNSULLFMTIB-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.06472551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	156.06472551
Rotatable Bond Count:	3
Topological Polar Surface Area:	94
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9