1-Benzyl-1H-1,2,4-triazol-3-amine - CAS 25637-43-8

Catalog:	BB046590
Product Name:	1-Benzyl-1H-1,2,4-triazol-3-amine
CAS:	25637-43-8
Synonyms:	1-Benzyl-1H-[1,2,4]triazol-3-ylamine; 1-Benzyl-1H-[1,2,4]triazol-3-ylamine; 1-benzyl-1,2,4-triazole-3-ylamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-benzyl-1,2,4-triazol-3-amine
Description:	1-Benzyl-1H-1,2,4-triazol-3-amine (CAS# 25637-43-8 ) is a useful research chemical.
Molecular Weight:	174.2
Molecular Formula:	C9H10N4
Canonical SMILES:	C1=CC=C(C=C1)CN2C=NC(=N2)N
InChI:	InChI=1S/C9H10N4/c10-9-11-7-13(12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,10,12)
InChI Key:	IOILQNNNLJZCNZ-UHFFFAOYSA-N
Boiling Point:	395.6±35.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm³
Appearance:	Solid

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Related Functional Groups

Amines and Anilines

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[1225940-17-9]
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[1082066-00-9]
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[151585-93-2]
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Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823402-59-0]
Ethyl 2-(5-bromo-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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.090546336
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.090546336
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3