1,1-Dimethylethyl 13-Amino-5,8,11-Trioxa-2-Azatridecanoate

CAS: 101187-40-0 | C13H28N2O5

Loading 3D structure...

CAS Registry Number: 101187-40-0

Molecular Formula: C13H28N2O5

Molecular Mass: 292.38 g/mol

1,1-Dimethylethyl 13-Amino-5,8,11-Trioxa-2-Azatridecanoate

5,8,11-Trioxa-2-azatridecanoic acid, 13-amino-, 1,1-dimethylethyl ester

1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate

tert-Butyl (2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)carbamate

tert-Butyl N-(2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl)carbamate

CC(C)(C)OC(O)=NCCOCCOCCOCCN

InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16)

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	292.38 g/mol	CAS Common Chemistry
	292.376 g/mol	RDKit
	292.199821996 g/mol	RDKit
Canonical SMILES	O=C(OC(C)(C)C)NCCOCCOCCOCCN	CAS Common Chemistry
InChI	InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16)	CAS Common Chemistry
InChI Key	InChIKey=CUPBLDPRUBNAIE-UHFFFAOYSA-N	CAS Common Chemistry
Name	1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate	CAS Common Chemistry
Heavy Atom Count	20	RDKit
Hydrogen Bond Acceptors	6	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	11	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	95.53 Å²	RDKit
LogP	0.7240000000000018	RDKit
Molar Refractivity	77.28020000000005	RDKit