Tris(3-hydroxypropyltriazolylMethyl)aMine

Catalog Number	ACM760952883-1
CAS	760952-88-3
Structure
Synonyms	1H-1,2,3-Triazole-1-propanol, 4,4',4''-[nitrilotris(methylene)]tris-; 3,3',3''-[Nitrilotris(Methanediyl-1h-1,2,3-Triazole-4,1-Diyl)]tripropan-1-Ol
IUPAC Name	3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
Molecular Weight	434.51
Molecular Formula	C18H30N10O3
Canonical SMILES	C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO
InChI	VAKXPQHQQNOUEZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2
Boiling Point	723.8±70.0 °C(Predicted)
Melting Point	331-336 °C (decomp)
Storage	2-8°C
Complexity	427
Covalently-Bonded Unit Count	1
Exact Mass	434.25023486
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Monoisotopic Mass	434.25023486
Rotatable Bond Count	15
Topological Polar Surface Area	156 Ų

Q&A

What is the molecular formula of Tris(3-hydroxypropyltriazolylmethyl)amine?

The molecular formula of Tris(3-hydroxypropyltriazolylmethyl)amine is C18H30N10O3.

What is the molecular weight of Tris(3-hydroxypropyltriazolylmethyl)amine?

The molecular weight of Tris(3-hydroxypropyltriazolylmethyl)amine is 434.5 g/mol.

What is the IUPAC name of Tris(3-hydroxypropyltriazolylmethyl)amine?

The IUPAC name of Tris(3-hydroxypropyltriazolylmethyl)amine is 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol.

What is the InChI of Tris(3-hydroxypropyltriazolylmethyl)amine?

The InChI of Tris(3-hydroxypropyltriazolylmethyl)amine is InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2.

What is the InChIKey of Tris(3-hydroxypropyltriazolylmethyl)amine?

The InChIKey of Tris(3-hydroxypropyltriazolylmethyl)amine is VAKXPQHQQNOUEZ-UHFFFAOYSA-N.

What is the canonical SMILES of Tris(3-hydroxypropyltriazolylmethyl)amine?

The canonical SMILES of Tris(3-hydroxypropyltriazolylmethyl)amine is C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO.

What is the CAS number of Tris(3-hydroxypropyltriazolylmethyl)amine?

The CAS number of Tris(3-hydroxypropyltriazolylmethyl)amine is 760952-88-3.

What is the EC number of Tris(3-hydroxypropyltriazolylmethyl)amine?

The EC number of Tris(3-hydroxypropyltriazolylmethyl)amine is 804-365-4.

What is the XLogP3-AA value of Tris(3-hydroxypropyltriazolylmethyl)amine?

The XLogP3-AA value of Tris(3-hydroxypropyltriazolylmethyl)amine is -3.

Is Tris(3-hydroxypropyltriazolylmethyl)amine a canonicalized compound?

Yes, Tris(3-hydroxypropyltriazolylmethyl)amine is a canonicalized compound.