Basic information
- CAS
63732-20-7- Standard SMILES
CCCC(COC(N)=O)C(C)OC(N)=O- InChIKey
YXGDVAFWTHMZRW-UHFFFAOYSA-N- Molecular formula
- C9H18N2O4
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.12665706
Names & identifiers
- Preferred name
- 1,3-Butanediol, 2-propyl-, dicarbamate
- IUPAC
- 2-(1-carbamoyloxyethyl)pentyl carbamate
Names & synonyms
1,3-BUTANEDIOL, 2-PROPYL-, DICARBAMATE63732-20-7RefChem:10527492-Propyl-1,3-butanediol dicarbamate
Database identifiers
- CAS
63732-20-7- PubChem CID
- 44653
- Nikkaji
- J64.646F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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