rac-tert-butyl N-[(3R,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]carbamate
Basic information
- CAS
2307757-45-3- Standard SMILES
CC(C)(C)CC1CNCC1NC(=O)OC(C)(C)C- InChIKey
VWRKQRQSRQLHAK-UHFFFAOYSA-N- Molecular formula
- C14H28N2O2
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.21507814
Names & identifiers
- Preferred name
- rac-tert-butyl N-[(3R,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]carbamate
- IUPAC
- tert-butyl N-[4-(2,2-dimethylpropyl)pyrrolidin-3-yl]carbamate
Names & synonyms
rac-tert-butyl N-[(3R,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]carbamate2307757-45-3RefChem:875045rac-tert-butyl N-((3R,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl)carbamate971-848-5tert-butyl N-[4-(2,2-dimethylpropyl)pyrrolidin-3-yl]carbamate2387277-50-92209078-46-4tert-butyl N-[trans-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]carbamateVWRKQRQSRQLHAK-UHFFFAOYSA-NEN300-27193459
Database identifiers
- CAS
2307757-45-3- PubChem CID
- 165877147
- EC Number
- 971-848-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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