1-(3-Methylbenzyl)-1H-1,2,4-triazol-3-amine - CAS 832738-13-3

Catalog:	BB045800
Product Name:	1-(3-Methylbenzyl)-1H-1,2,4-triazol-3-amine
CAS:	832738-13-3
Synonyms:	1-(3-Methyl-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-[(3-methylphenyl)methyl]-1,2,4-triazole-3-ylamine

Technical Data

Computed Properties

IUPAC Name:	1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-amine
Description:	1-(3-Methylbenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832738-13-3 ) is a useful research chemical.
Molecular Weight:	188.23
Molecular Formula:	C10H12N4
Canonical SMILES:	CC1=CC(=CC=C1)CN2C=NC(=N2)N
InChI:	InChI=1S/C10H12N4/c1-8-3-2-4-9(5-8)6-14-7-12-10(11)13-14/h2-5,7H,6H2,1H3,(H2,11,13)
InChI Key:	QHXZHBZRUNBZHH-UHFFFAOYSA-N
Boiling Point:	403.8±48.0 °C at 760 mmHg
Density:	1.2±0.1 g/cm³

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Related Functional Groups

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Triazole/Tetrazole

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.1061964
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.1061964
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6