Basic information
- CAS
25384-47-8- Standard SMILES
CCC(C)C(C)(CO)COC(=O)NC(C)C- InChIKey
VBLCEXPSCQTKLT-UHFFFAOYSA-N- Molecular formula
- C12H25NO3
- Average molar mass
- 231.33 g/mol
- Monoisotopic mass
- 231.18344366
Names & identifiers
- Preferred name
- Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester
- IUPAC
- [2-(hydroxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate
- English name
- 2-(hydroxymethyl)-2,3-dimethylpentyl isopropylcarbamate
- Molecular formula
- C12H25NO3
- Molecular weight
- 231.33
Names & synonyms
25384-47-8Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl esterRefChem:1080913BRN 3048585Isopropylcarbamic acid 2-(hydroxymethyl)-2,3-dimethylpentyl esterDTXSID409482302-(Hydroxymethyl)-2,3-dimethylpentyl hydrogen propan-2-ylcarbonimidate2-(hydroxymethyl)-2,3-dimethylpentyl isopropylcarbamateCarbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (6CI,8CI)
Database identifiers
- CAS
25384-47-8- PubChem CID
- 212906
- DTXSID
DTXSID40948230
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 126 · 126-128 °C(Press: 0.07 Torr)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.46(Predicted)
Chemistry & industry
Suppliers3 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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