(4-Methyl-4H-1,2,4-triazol-3-yl)methanol - CAS 59660-30-9

Catalog:	BB030450
Product Name:	(4-Methyl-4H-1,2,4-triazol-3-yl)methanol
CAS:	59660-30-9
Synonyms:	(4-methyl-1,2,4-triazol-3-yl)methanol; (4-methyl-1,2,4-triazol-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-methyl-1,2,4-triazol-3-yl)methanol
Description:	(4-Methyl-4H-1,2,4-triazol-3-yl)methanol (CAS# 59660-30-9) is a useful research chemical.
Molecular Weight:	113.12
Molecular Formula:	C4H7N3O
Canonical SMILES:	CN1C=NN=C1CO
InChI:	InChI=1S/C4H7N3O/c1-7-3-5-6-4(7)2-8/h3,8H,2H2,1H3
InChI Key:	CIFUFRVSHZKBEO-UHFFFAOYSA-N
MDL:	MFCD13190102
LogP:	-0.69260

Publication Number	Title	Priority Date
US-2020095240-A1	Aminopyrimidine compound	20180925
TW-202035375-A	Aminopyrimidine compound	20180925
CN-113365632-A	Aminopyrimidine compounds	20180925
KR-20210082454-A	aminopyrimidine compounds	20180925
US-11130752-B2	Aminopyrimidine compound	20180925

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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:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.058911855
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4