Basic information
- CAS
7450-63-7- Standard SMILES
COC(=O)Nc1ccc(Cc2ccc(NC(=O)OC)cc2)cc1- InChIKey
IDMPEWXHBJHVIQ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.12665706
Overview
Dimethyl [methylenedi(4,1-phenylene)]biscarbamate has been reported in Magnolia kachirachirai with data available.
Names & identifiers
- Preferred name
- Dimethyl 4',4''-methylenedicarbanilate
- IUPAC
- methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamate
- English name
- Dimethyl 4',4''-methylenedicarbanilate
- Molecular formula
- C17H18N2O4
- Molecular weight
- 314.34
Names & synonyms
DIMETHYL 4',4''-METHYLENEDICARBANILATERefChem:588185666-405-57450-63-7Dimethyl (methylenebis(4,1-phenylene))dicarbamateCarbamic acid, (methylenedi-4,1-phenylene)bis-, dimethyl esterMFCD00025854methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamateDimethyl (methylenedi-4,1-phenylene)biscarbamateNSC-215914dimethyl 4,4'-methylenebis(phenylcarbamate)Dimethyl [Methylenebis(4,1-phenylene)]dicarbamate
Show more names
DIMETHYL 4',4'-METHYLENEDICARBANILATE(Methylenebis(4,1-phenylene))dicarbamate dimethyl esterCarbamic acid, N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-dimethyl ester
4,4'-bis(carbomethoxyamino)diphenylmethaneNSC215914NSC 215914ZE8UUP5SD8Oprea1_599045SCHEMBL1022686DTXSID10996001IDMPEWXHBJHVIQ-UHFFFAOYSA-N
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 178.5 · 178.5-179.5 °C
- Boiling point
- 393 · 393.0±35.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.48 · 13.48±0.70(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 8 UUP5SD8 · ZE8UUP5SD8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Suppliers17 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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