Basic information
- CAS
1353978-51-4- Standard SMILES
CN(C(=O)OCc1ccccc1)C1CCN(C(=O)CCl)C1- InChIKey
DITIMGLCOKDDIL-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O3
- Average molar mass
- 310.77 g/mol
- Monoisotopic mass
- 310.1084202
Names & identifiers
- Preferred name
- [1-(2-Chloro-acetyl)-pyrrolidin-3-yl]-methyl-carbamic acid benzyl ester
- IUPAC
- benzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
- English name
- [1-(2-Chloro-acetyl)-pyrrolidin-3-ylMethyl]-carbaMic acid benzyl ester
- Molecular formula
- C15H19ClN2O3
- Molecular weight
- 310.78
Names & synonyms
1353978-51-4[1-(2-Chloro-acetyl)-pyrrolidin-3-yl]-methyl-carbamic acid benzyl esterBenzyl (1-(2-chloroacetyl)pyrrolidin-3-yl)(methyl)carbamateBenzyl(1-(2-chloroacetyl)pyrrolidin-3-yl)(methyl)carbamatebenzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamateDTXSID201130800SB49616SB50412DB-249140Benzyl [1-(chloroacetyl)pyrrolidin-3-yl]methylcarbamatebenzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methyl-carbamateCarbamic acid, N-[1-(2-chloroacetyl)-3-pyrrolidinyl]-N-methyl-, phenylmethyl ester
Show more names
[1-(2-Chloro-acetyl)-pyrrolidin-3-ylMethyl]-carbaMic acid benzyl ester
Database identifiers
- CAS
1353978-51-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 467.8 · 467.8±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -1.52 · -1.52±0.20(Predicted)
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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