N,N'-dicyclohexylmorpholine-4-carboximidamide

• ChemBase ID: 60133
• Molecular Formular: C17H31N3O
• Molecular Mass: 293.44754
• Monoisotopic Mass: 293.24671263
• SMILES: C1COCCN1/C(=N\C1CCCCC1)/NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)N/C(=N/C1CCCCC1)/N1CCOCC1
• InChI: InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)
• InChIKey: OZNYZQOTXQSUJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dicyclohexylmorpholine-4-carboximidamide; (Z)-N,N'-dicyclohexylmorpholine-4-carboximidamide
• IUPAC Traditional name: N,N'-dicyclohexylmorpholine-4-carboximidamide; (Z)-N,N'-dicyclohexylmorpholine-4-carboximidamide
• Synonyms: N,N′-Dicyclohexyl-4-morpholinecarboxamidine; N,N'-Dicyclohexylmorpholine-4-carboximidamide; N,N'-Dicyclohexyl-4-morpholine carboxamidine; N,N′-二环己基-4-吗啉脒

Database IDs

• CAS Number: 4975-73-9
• EC Number: 225-622-1
• MDL Number: MFCD00063252
• PubChem SID: 24850028; 162025874
• PubChem CID: 21079

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.76862764
• LogD (pH = 7.4): 0.7697198
• Log P: 3.1840725
• Molar Refractivity: 86.2874 cm^3
• Polarizability: 33.54351 Å^3
• Polar Surface Area: 36.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-107 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• RTECS: LQ4566500
• German water hazard class: 3
• TSCA Listed: false

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C17H31N3O

DETAILS

Sigma Aldrich - 163201

Packaging
25 g in glass bottle