1,4-Butanediol, 1,4-dicarbamate
Basic information
- CAS
7119-55-3- Standard SMILES
NC(=O)OCCCCOC(N)=O- InChIKey
ONWSHWFYPNZPAA-UHFFFAOYSA-N- Molecular formula
- C6H12N2O4
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.07970687
Names & identifiers
- Preferred name
- 1,4-Butanediol, 1,4-dicarbamate
- IUPAC
- 4-carbamoyloxybutyl carbamate
- English name
- butane-1,4-diyl dicarbamate
- Molecular formula
- C6H12N2O4
- Molecular weight
- 176.17048
Names & synonyms
1,4-BUTANEDIOL, DICARBAMATE7119-55-3Carbamic acid, tetramethylene esterDTXSID102213851,4-Butanediol, 1,4-dicarbamateRefChem:1053222DTXCID10143876Butane-1,4-diyl dicarbamateNSC-240397EINECS 230-422-2NSC 240397BRN 1777721
Show more names
1,4-Butanediol dicarbamate4-carbamoyloxybutyl carbamate
4-(carbamoyloxy)butyl carbamate1,4-ButandiurethanNSC2403971,4-Butylene biscarbamateB8LV33L6YUSCHEMBL2746597ONWSHWFYPNZPAA-UHFFFAOYSA-NNS00037170
Database identifiers
- CAS
7119-55-3- PubChem CID
- 23504
- DTXSID
DTXSID10221385- UNII
- B8LV33L6YU
- EC Number
- 230-422-2
- Nikkaji
- J64.632F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- FDA UNII
- 8 LV33L6YU · B8LV33L6YU
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…