1-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamate
Basic information
- CAS
65105-00-2- Standard SMILES
CC(CCOC(=O)Nc1cccc(CN=C=O)c1)OC(=O)Nc1cccc(CN=C=O)c1- InChIKey
OLRHYESTDPGDCF-UHFFFAOYSA-N- Molecular formula
- C22H22N4O6
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.15393443
Names & identifiers
- Preferred name
- 1-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamate
- IUPAC
- 3-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]butyl N-[3-(isocyanatomethyl)phenyl]carbamate
- English name
- 1-methylpropane-1,3-diyl bis[(3-isocyanatobenzyl)carbamate]
- Molecular formula
- C22H22N4O6
- Molecular weight
- 438.43328
Names & synonyms
65105-00-268366-14-31-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamateCarbamic acid, (3-isocyanatomethylphenyl)-, 1-methyl-1,3-propanediyl esterEINECS 265-445-7EINECS 269-859-9SCHEMBL163207531,3-Butanediol, toluene 2,4-diisocyanate urethane (1:2)DTXSID70983654MBABXWXSNOGEQB-UHFFFAOYSA-NCarbamic acid, (5-isocyanato-2(or 4)-methylphenyl)-, 1-methyl-1,3-propanediyl esterCarbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1-methyl-1,3-propanediyl) ester
Show more names
1-methylpropane-1,3-diyl bis[(3-isocyanatobenzyl)carbamate]Bis[[3-(isocyanatomethyl)phenyl]carbamic acid]1-methyl-1,3-propanediyl ester
Carbamic acid, N-(5-isocyanato-2(or 4)-methylphenyl)-, C,C'-(1-methyl-1,3-propanediyl) ester1-Methylpropane-1,3-diyl bis((3-isocyanatobenzyl)carbamate)1-Methylpropane-1,3-diyl bis((3-isocyanatomethylphenyl)carbamate)Butane-1,3-diyl bis{hydrogen [3-(isocyanatomethyl)phenyl]carbonimidate}
Database identifiers
- CAS
65105-00-2、68366-14-3- PubChem CID
- 103207
- DTXSID
DTXSID70983654- EC Number
- 265-445-7、269-859-9
- Nikkaji
- J286.682J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- EPA Substance Registry System
- 3 · Carbamic acid, (3-isocyanatomethylphenyl)-, 1-methyl-1,3-propanediyl ester (65105-00-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1-methyl-1,3-propanediyl) ester: INACTIVE
Carbamic acid, N-[5-isocyanato-2(or 4)-methylphenyl]-, C,C'-(1-methyl-1,3-propanediyl) ester: INACTIVE
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Compound notes
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