Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester
Basic information
- CAS
65105-02-4- Standard SMILES
O=C=NCc1cccc(NC(=O)OCCCCOC(=O)Nc2cccc(CN=C=O)c2)c1- InChIKey
XHTDSKSTMYPBEX-UHFFFAOYSA-N- Molecular formula
- C22H22N4O6
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.15393443
Names & identifiers
- Preferred name
- Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester
- IUPAC
- 4-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]butyl N-[3-(isocyanatomethyl)phenyl]carbamate
Names & synonyms
Carbamic acid, (3-isocyanatomethylphenyl)-, 1,4-butanediyl esterDTXSID6070223Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) esterRefChem:123404DTXCID504449565105-02-4butane-1,4-diyl bis{[3-(isocyanatomethyl)phenyl]carbamate}XHTDSKSTMYPBEX-UHFFFAOYSA-N
Database identifiers
- CAS
65105-02-4- PubChem CID
- 103209
- DTXSID
DTXSID6070223- Nikkaji
- J453.306B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 632
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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