Basic information
- CAS
1286207-43-9- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCN(CC2CCC2)C1- InChIKey
JAEIGTZUFFYNQO-LBPRGKRZSA-N- Molecular formula
- C14H26N2O2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.19942808
Names & identifiers
- Preferred name
- (S)-tert-Butyl 1-(cyclobutylmethyl)pyrrolidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3S)-1-(cyclobutylmethyl)pyrrolidin-3-yl]carbamate
- English name
- (S)-tert-Butyl 1-(cyclobutylmethyl)pyrrolidin-3-ylcarbamate
- Molecular formula
- C14H26N2O2
- Molecular weight
- 254.37
Names & synonyms
1286207-43-9(S)-tert-Butyl 1-(cyclobutylmethyl)pyrrolidin-3-ylcarbamate(S)-tert-Butyl (1-(cyclobutylmethyl)pyrrolidin-3-yl)carbamatetert-butyl N-[(3S)-1-(cyclobutylmethyl)pyrrolidin-3-yl]carbamateMFCD17014228(S)-tert-Butyl(1-(cyclobutylmethyl)pyrrolidin-3-yl)carbamateAKOS027385901KS-5762F063953Carbamic acid, N-[(3S)-1-(cyclobutylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1286207-43-9- PubChem CID
- 53256028
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 355.3 · 355.3±31.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 12.32 · 12.32±0.20(Predicted)
Chemistry & industry
Suppliers1 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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