1-Tert-butyl 2-methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylate
Basic information
- CAS
909076-34-2- Standard SMILES
COC(=O)C1(CCCCl)CCCN1C(=O)OC(C)(C)C- InChIKey
JXSBVGITDYKWEC-UHFFFAOYSA-N- Molecular formula
- C14H24ClNO4
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1393859
Names & identifiers
- Preferred name
- 1-Tert-butyl 2-methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylate
- English name
- 1-tert-butyl 2-Methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylate
- Molecular formula
- C14H24ClNO4
- Molecular weight
- 305.8
Names & synonyms
1-tert-butyl 2-methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylate909076-34-2NSC6973821-O-tert-butyl 2-O-methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylateO1-tert-butyl O2-methyl 2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylateCHEMBL2006128SCHEMBL22555018DTXSID20327862CS-M1043MFCD12912662AKOS015949452AB92368
Show more names
1,2-Pyrrolidinedicarboxylic acid, 2-(3-chloropropyl)-, 1-(1,1-dimethylethyl) 2-methyl ester
NSC-697382s11248CS-13193NCI60_034720DB-2263201-Boc-2-Methyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate1-tert-butyl2-methyl2-(3-chloropropyl)pyrrolidine-1,2-dicarboxylate1-tert-Butyl 2-methyl 2-(3-chloropropyl)-1,2-pyrrolidinedicarboxylate
Database identifiers
- CAS
909076-34-2- PubChem CID
- 394148
- DTXSID
DTXSID20327862- ChEMBL
CHEMBL2006128
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 370.3 · 370.3±27.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -3.5 · -3.50±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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