Basic information
- CAS
1353946-51-6- Standard SMILES
O=C(CCl)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)C1- InChIKey
ADOJEUOCOVEFMK-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O3
- Average molar mass
- 350.8 g/mol
- Monoisotopic mass
- 350.1397203
Names & identifiers
- Preferred name
- [1-(2-Chloro-acetyl)-pyrrolidin-3-ylmethyl]-cyclopropyl-carbamic acid benzyl ester
- IUPAC
- benzyl N-[[1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
- English name
- [1-(2-Chloro-acetyl)-pyrrolidin-3-ylMethyl]-cyclopropyl-carbaMic acid benzyl ester
- Molecular formula
- C18H23ClN2O3
- Molecular weight
- 350.84
Names & synonyms
1353946-51-6[1-(2-Chloro-acetyl)-pyrrolidin-3-ylmethyl]-cyclopropyl-carbamic acid benzyl esterBenzyl ((1-(2-chloroacetyl)pyrrolidin-3-yl)methyl)(cyclopropyl)carbamatebenzyl N-[[1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamateBenzyl((1-(2-chloroacetyl)pyrrolidin-3-yl)methyl)(cyclopropyl)carbamateDTXSID401117648DB-249144Benzyl {[1-(chloroacetyl)pyrrolidin-3-yl]methyl}cyclopropylcarbamatebenzyl N-[[1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropyl-carbamateCarbamic acid, N-[[1-(2-chloroacetyl)-3-pyrrolidinyl]methyl]-N-cyclopropyl-, phenylmethyl ester
Database identifiers
- CAS
1353946-51-6- PubChem CID
- 66566643
- DTXSID
DTXSID401117648
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 512.8 · 512.8±43.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -1.29 · -1.29±0.40(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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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