1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C14H18N2/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-11H2

2.1.2 InChI Key

PPJWMNPSKPESFN-UHFFFAOYSA-N

2.1.3 Canonical SMILES

C1CCC(CC1)N=C=NCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl508496

2. N-benzyl-n-cyclohexylcarbodiimide

3. J3.541.507f

4. N-benzyl-n'-cyclohexylcarbodiimide, Polymer-bound 100-300 Mesh, Extent Of Labeling: ~1.3 Mmol/g N Lo ~1.3 Mmol/g N Loading

5. N-benzyl-n'-cyclohexylcarbodiimide, Polymer-bound, 100-200 Mesh, Extent Of Labeling: 1.0-2.0 Mmol/g Loading, 1 % Cross-linked With Divinylbenzene

6. N-benzyl-n'-cyclohexylcarbodiimide, Polymer-bound, 100-300 Mesh, Extent Of Labeling: ~1.3 Mmol/g N Loading

2.3 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈N₂
Molecular Weight	214.31 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	214.146998583 g/mol
Monoisotopic Mass	214.146998583 g/mol
Topological Polar Surface Area	24.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Technical details about 00787_FLUKA, learn more about the structure, uses, toxicity, action, side effects and more

00787_FLUKA