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

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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2-(Methylamino)benzonitrile
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2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Triazole/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
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate
[138169-43-4]
MTS Reagent

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