3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol - CAS 18595-97-6

Catalog:	BB047220
Product Name:	3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol
CAS:	18595-97-6
Synonyms:	3-(5-amino-4H-1,2,4-triazol-3-yl)propan-1-ol; 3-(5-amino-1H-1,2,4-triazol-3-yl)propan-1-ol; 3-(5-Amino-4H-[1,2,4]triazol-3-yl)propan-1-ol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
Description:	3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol (CAS# 18595-97-6 ) is a useful research chemical.
Molecular Weight:	142.16
Molecular Formula:	C5H10N4O
Canonical SMILES:	C(CC1=NC(=NN1)N)CO
InChI:	InChI=1S/C5H10N4O/c6-5-7-4(8-9-5)2-1-3-10/h10H,1-3H2,(H3,6,7,8,9)
InChI Key:	JCYHSFGSMIVOPG-UHFFFAOYSA-N
Boiling Point:	449.6 °C at 760 mmHg
Density:	1.376 g/cm³
Appearance:	Solid

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Related Functional Groups

Amines and Anilines

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1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
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1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[17583-40-3]
2-(Methylamino)benzonitrile
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.08546096
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	142.08546096
Rotatable Bond Count:	3
Topological Polar Surface Area:	87.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4