Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester
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Basic information
- CAS
74296-42-7- Standard SMILES
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2- InChIKey
CCBHSPUYWZHDFX-UHFFFAOYSA-N- Molecular formula
- C23H29Cl2N3O4
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 481.1535118
Names & identifiers
- Preferred name
- Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester
- IUPAC
- [3-(3,4-dichlorophenyl)-2-(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propan-2-ylcarbamate
- English name
- Isopropylcad
- Molecular formula
- C23H29Cl2N3O4
- Molecular weight
- 482.4
Names & synonyms
74296-42-7NCI 278214NSC 278214Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) esterDTXSID90225306Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI)Carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) esterRefChem:331780DTXCID50147797NSC-278214NSC278214(5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) bis(isopropylcarbamate)
Show more names
Isopropylcad5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dimethanol bis(isopropylcarbamate)Bis(isopropylcarbamic acid)[5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]dimethylene esterCarbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester (9CI)
CHEMBL284134isopropyl pyrrolizineHF3C9VJ2GGSCHEMBL8714429SCHEMBL31238303CCBHSPUYWZHDFX-UHFFFAOYSA-NBDBM50022673NCI-278214
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 651
Physicochemical properties
- Boiling point
- 640.6 · 640.6±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 12.3 · 12.30±0.46(Predicted)
- FDA UNII
- 3 C9VJ2GG · HF3C9VJ2GG
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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