Basic information
- CAS
25805-16-7- Standard SMILES
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1.OCCCCO- InChIKey
PFOLXKOIZDGHPB-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- 1,4-Butanediol, polymer with 1,1'-methylenebis(4-isocyanatobenzene)
- IUPAC
- butane-1,4-diol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
- English name
- 1,4-Butanediol, polymer with 1,1'-methylenebis(4-isocyanatobenzene) (9CI)
- Molecular formula
- C19H20N2O4
- Molecular weight
- 340.3731
Names & synonyms
RefChem:4165091,4-Butanediol, polymer with 1,1'-methylenebis(4-isocyanatobenzene) (9CI)butane-1,4-diol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzenebutane-1,4-diol- 1,1'-methanediylbis(4-isocyanatobenzene)(1:1)DTXSID70948708PFOLXKOIZDGHPB-UHFFFAOYSA-NAKOS040753592Butane-1,4-diol--1,1'-methylenebis(4-isocyanatobenzene) (1/1)Y302Y-302Y 302Polyurethane Y-302
Database identifiers
- CAS
25805-16-7- PubChem CID
- 213221
- DTXSID
DTXSID70948708
Properties
Computed structural properties
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Butanediol, polymer with 1,1'-methylenebis[4-isocyanatobenzene] (25805-16-7)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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