Julolidine

CAS: 479-59-4 | C12H15N

2D Structure

Loading 3D structure...

CAS Registry Number

479-59-4

SMILES

c1cc2c3c(c1)CCCN3CCC2

InChI Key

DZFWNZJKBJOGFQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	173.26 g/mol	CAS Common Chemistry
	173.25899999999993 g/mol	RDKit
	173.259 g/mol	RDKit
Wikipedia Url	https://en.wikipedia.org/wiki/Julolidine	CAS Common Chemistry
Canonical SMILES	C=1C=C2C3=C(C1)CCCN3CCC2	CAS Common Chemistry
InChI	InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2	CAS Common Chemistry
InChI Key	InChIKey=DZFWNZJKBJOGFQ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	40 °C	CAS Common Chemistry
Name	2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine	CAS Common Chemistry
	Julolidine	CAS Common Chemistry
Heavy Atom Count	13	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	3.24 Å²	RDKit
	3.01 Å²	chempirical lib
LogP	2.3854000000000006	RDKit
	2.3854	RDKit
Molar Refractivity	55.29700000000003 cm³/mol	RDKit
Ring Count	3	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.5	RDKit
Exact Mass	173.12044948 g/mol	RDKit
Boiling Point	155-156 °C @ 17 Torr	CAS Common Chemistry

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.

Other compounds with formula C12H15N.