N-[(morpholine-4-carbonyl)imino]morpholine-4-carboxamide

• ChemBase ID: 152468
• Molecular Formular: C10H16N4O4
• Molecular Mass: 256.25844
• Monoisotopic Mass: 256.11715501
• SMILES: C1COCCN1C(=O)/N=N/C(=O)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)/N=N/C(=O)N1CCOCC1
• InChI: InChI=1S/C10H16N4O4/c15-9(13-1-5-17-6-2-13)11-12-10(16)14-3-7-18-8-4-14/h1-8H2
• InChIKey: CHAMTJKQPOMXTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(morpholine-4-carbonyl)imino]morpholine-4-carboxamide
• IUPAC Traditional name: N-(morpholine-4-carbonylimino)morpholine-4-carboxamide
• Synonyms: Azodicarboxylic bismorpholide; Azodicarboxylic dimorpholide; 偶氮二羰基双吗啉; 偶氮二羰基二吗啉

Database IDs

• CAS Number: 10465-82-4
• EC Number: 418-690-0
• MDL Number: MFCD00043006
• Beilstein Number: 1013753
• PubChem SID: 24847279; 162246613
• PubChem CID: 6087454

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.3882865
• LogD (pH = 7.4): -1.3882865
• Log P: -1.3882865
• Molar Refractivity: 60.821 cm^3
• Polarizability: 23.402685 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141-143 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (N)
• Empirical Formula (Hill Notation): C10H16N4O4

DETAILS

Sigma Aldrich - 11628

Other Notes
Reagent for the formation of symmetric and unsymmetric disulfides in polar solvents (e.g. water)1
Packaging
5 g in glass bottle