Tert-butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate
Basic information
- CAS
955979-19-8- Standard SMILES
CNCC1CCCN1C(=O)OC(C)(C)C- InChIKey
NHOPGDPSLMBDQD-UHFFFAOYSA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812795
Names & identifiers
- Preferred name
- Tert-butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate
- English name
- tert-butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate
- Molecular formula
- C11H22N2O2
- Molecular weight
- 214.3
Names & synonyms
955979-19-8tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylateTERT-BUTYL 2-[(METHYLAMINO)METHYL]PYRROLIDINE-1-CARBOXYLATERefChem:892254862-717-22-Methylaminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester2-Methylaminomethyl-pyrrolidine-1-carboxylic acid isopropyl estertert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylateMFCD172155791-Boc-2-(methylaminomethyl)pyrrolidineSCHEMBL190145NHOPGDPSLMBDQD-UHFFFAOYSA-N
Show more names
1-Pyrrolidinecarboxylic acid, 2-[(methylamino)methyl]-, 1,1-dimethylethyl ester
FNB97919AKOS015907354AB88910AB91463SB44310DA-173071-Boc-2-(N-methylaminomethyl)-pyrrolidineDB-065739
Database identifiers
- CAS
955979-19-8- PubChem CID
- 53346604
- EC Number
- 862-717-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 282 ℃ · 282℃
- Density
- 1.004 · 1.004
- Flash point
- 124 ℃ · 124℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.17 · 10.17±0.10(Predicted)
- Appearance
- colorless to light yellow liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 Corr. 1B (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
10 records
Compound notes
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