Imidazolidine

CAS: 504-74-5 · C3H8N2

2D Structure

Loading 3D structure...

CAS Registry Number

504-74-5

SMILES

C1CNCN1

InChI Key

WRYCSMQKUKOKBP-UHFFFAOYSA-N

InChI

InChI=1S/C3H8N2/c1-2-5-3-4-1/h4-5H,1-3H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	72.11 g/mol	CAS Common Chemistry
	72.11099999999999 g/mol	RDKit
	72.111 g/mol	RDKit
Wikipedia Url	https://en.wikipedia.org/wiki/Imidazolidine	CAS Common Chemistry
Canonical SMILES	N1CNCC1	CAS Common Chemistry
InChI	InChI=1S/C3H8N2/c1-2-5-3-4-1/h4-5H,1-3H2	CAS Common Chemistry
InChI Key	InChIKey=WRYCSMQKUKOKBP-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	68.2-68.8 °C	CAS Common Chemistry
Name	Imidazolidine	CAS Common Chemistry
Heavy Atom Count	5	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	24.06 Å²	RDKit
LogP	-0.8633000000000002	RDKit
	-0.8633	RDKit
Molar Refractivity	20.872400000000003 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	72.06874825599999 g/mol	RDKit

NMR, IR, and Mass spectral data

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.

Convert

MW = 72.11 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)