Basic information
- CAS
6268-31-1- Standard SMILES
COC(=O)NCCNC(=O)OC- InChIKey
OCUKKHVJDGNKNX-UHFFFAOYSA-N- Molecular formula
- C6H12N2O4
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.07970687
Names & identifiers
- Preferred name
- Dimethyl ethane-1,2-diylbiscarbamate
- IUPAC
- methyl N-[2-(methoxycarbonylamino)ethyl]carbamate
- English name
- Carbamic acid, N,N'-1,2-ethanediylbis-, C,C'-dimethyl ester
- Molecular formula
- C6H12N2O4
- Molecular weight
- 176.17
Names & synonyms
dimethyl ethane-1,2-diylbiscarbamate6268-31-1DTXSID60284208RefChem:1083697DTXCID40235359DIMETHYL ETHANE-1,2-DIYLDICARBAMATEmethyl N-[2-(methoxycarbonylamino)ethyl]carbamateNSC36237SCHEMBL3190326OCUKKHVJDGNKNX-UHFFFAOYSA-Ndimethyl 1,2-ethanediylbiscarbamateMFCD00484114
Show more names
Carbamic acid, N,N'-1,2-ethanediylbis-, C,C'-dimethyl ester
NSC-36237AKOS003887172bis (methoxycarbonyl) ethylene diamineH83748
Database identifiers
- CAS
6268-31-1- PubChem CID
- 235151
- DTXSID
DTXSID60284208
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 132 °C · 132 °C(Solv: benzene (71-43-2))
- Boiling point
- 325.6 · 325.6±25.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 12.17 · 12.17±0.46(Predicted)
Chemistry & industry
Suppliers1 total
上海雷祺生物科技有限公司18621609968 · [email protected]
Related reactions
3 records
Compound notes
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