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CAT#:0926-FD05508-01Size:1 Kg

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CAS Number

538-75-0

Synonyms

1,3-Dicyclohexyl carbodiimide; N, N'-Dicyclohexylcarbodiimide

MDL Number

MFCD00011659

Smiles

C1CCC (CC1) N=C=NC2CCCCC2

Molecular Formula

C13H22N2

Molecular Weight

206.33 g/mol

Controlled

Chemical Information

Dicyclohexylcarbodiimide

1,3-dicyclohexylcarbodiimide is a carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms. It has a role as an ATP synthase inhibitor, a cross-linking reagent and a peptide coupling reagent.

CAS Number	538-75-0
PubChem CID	10868
IUPAC Name	N,N'-dicyclohexylmethanediimine
Molecular Formula	C13H22N2
Molecular Weight	206.33
XLogP	4.7
Topological Polar Surface Area	24.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	201

SMILES

C1CCC(CC1)N=C=NC2CCCCC2

InChI

InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2

InChIKey

QOSSAOTZNIDXMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 538-75-0

CID: 10868

Formula: C13H22N2

MW: 206.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	206.33
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	206.178298710
Monoisotopic Mass	206.178298710
Topological Polar Surface Area	24.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	201
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
Compound Is Canonicalized	Yes

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