2H-1,3-Diazepin-2-one, 1,3-bis(4-aminobutyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Base Information

• Chemical Name: 2H-1,3-Diazepin-2-one, 1,3-bis(4-aminobutyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
• CAS No.: 192575-91-0
• Molecular Formula: C27H40N4O3
• Molecular Weight: 468.6315
• DSSTox Substance ID: DTXSID00172852
• Wikidata: Q83042938
• ChEMBL ID: CHEMBL28470

Synonyms:CHEMBL28470;192575-91-0;2H-1,3-Diazepin-2-one, 1,3-bis(4-aminobutyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;DMPC Cyclic Urea 108;BDBM128;DTXSID00172852;(4R,5S,6S,7R)-1,3-bis(4-aminobutyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one;(4R,5S,6S,7R)-1,3-bis(4-aminobutyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one dihydrate dihydrochloride

Chemical Property of 2H-1,3-Diazepin-2-one, 1,3-bis(4-aminobutyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Chemical Property:

• Vapor Pressure: 1.52E-18mmHg at 25°C
• Boiling Point: 664.2°Cat760mmHg
• Flash Point: 355.5°C
• Density: 1.165g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 468.31004115
• Heavy Atom Count: 34
• Complexity: 532

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CCCCN)CCCCN)CC3=CC=CC=C3)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCN)CCCCN)CC3=CC=CC=C3)O)O

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