[4-(2-Aminoacetyl)imino-1-[3-[5-(2-aminoacetyl)imino-6-methylcyclohexa-1,3-dien-1-yl]phenyl]-3-(carboxyamino)-2-methylcyclohexa-2,5-dien-1-yl]carbamic acid
Basic information
- CAS
207574-76-3- Standard SMILES
CC1=C(NC(=O)O)C(=NC(=O)CN)C=CC1(NC(=O)O)c1cccc(C2=CC=CC(=NC(=O)CN)C2C)c1- InChIKey
LOGNMBPMAMTFKP-GOLAWLNDSA-N- Molecular formula
- C26H28N6O6
- Average molar mass
- 520.5 g/mol
- Monoisotopic mass
- 520.20703263
Overview
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Names & identifiers
- Preferred name
- [4-(2-Aminoacetyl)imino-1-[3-[5-(2-aminoacetyl)imino-6-methylcyclohexa-1,3-dien-1-yl]phenyl]-3-(carboxyamino)-2-methylcyclohexa-2,5-dien-1-yl]carbamic acid
- IUPAC
- [4-(2-aminoacetyl)imino-1-[3-[5-(2-aminoacetyl)imino-6-methylcyclohexa-1,3-dien-1-yl]phenyl]-3-(carboxyamino)-2-methylcyclohexa-2,5-dien-1-yl]carbamic acid
- English name
- Carbamic acid, 1,3-phenylenebismethyleneiminocarbonylimino(methyl-3,1-phenylene)bis-, di-C10-14-alkyl esters
- Molecular formula
- C26H28N6O6
- Molecular weight
- 520.53712
Names & synonyms
207574-76-3DTXSID00699655LOGNMBPMAMTFKP-UHFFFAOYSA-NNS00005122[(1~4~E,3~3~E)-1~4~,3~3~-Bis[(aminoacetyl)imino]-1~2~,3~2~-dimethyl-3~2~,3~3~-dihydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-1~1~,1~3~(1~4~H)-diyl]dicarbamic acid[(1~4~E,3~3~E)-1~4~,3~3~-Bis[(aminoacetyl)imino]-1~2~,3~2~-dimethyl[3~2~,3~3~-dihydro-1~1~,2~1~:2~3~,3~1~-terphenyl]-1~1~,1~3~(1~4~H)-diyl]dicarbamic acidCarbamic acid, 1,3-phenylenebismethyleneiminocarbonylimino(methyl-3,1-phenylene)bis-, di-C10-14-alkyl estersCondensation products of m-phenylenebis(methylamine) with condensation products of 4-methyl-m-phenylene diisocyanate with alcohols, C10-14 (even numbered)
Database identifiers
- CAS
207574-76-3- PubChem CID
- 53427833
- DTXSID
DTXSID00699655
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,200
Physicochemical properties
- Density
- 1.1 · 1.1[at 20℃]
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- REACH Registrations
- Active
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Compound notes
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