1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate
Basic information
- CAS
25451-58-5- Standard SMILES
CC(C)CC(C)(CO)COC(N)=O- InChIKey
HFRSCQWPRWHTJR-UHFFFAOYSA-N- Molecular formula
- C9H19NO3
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.13649347
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate
- IUPAC
- [2-(hydroxymethyl)-2,4-dimethylpentyl] carbamate
- English name
- Carbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester
- Molecular formula
- C9H19NO3
- Molecular weight
- 189.25
Names & synonyms
25451-58-51,3-Propanediol, 2-isobutyl-2-methyl-, carbamateRefChem:1053060BRN 29618342-Isobutyl-2-methyl-1,3-propanediol monocarbamateDTXSID209483392-(Hydroxymethyl)-2,4-dimethylpentyl hydrogen carbonimidateCarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester1,3-Propanediol, 2-isobutyl-2-methyl-, monocarbamate (8CI)
Database identifiers
- CAS
25451-58-5- PubChem CID
- 117243
- DTXSID
DTXSID20948339- Nikkaji
- J50.845D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…