Basic information
- CAS
107258-90-2- Standard SMILES
CC(NC(=O)OC(C)(C)C)C1CCNC1- InChIKey
HJUZGKGDCUOVML-UHFFFAOYSA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812794
Names & identifiers
- Preferred name
- tert-butyl N-[1-(pyrrolidin-3-yl)ethyl]carbamate
- IUPAC
- tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate
- English name
- 3-(1-(boc-aMino)ethyl)-pyrrolidine
- Molecular formula
- C11H22N2O2
- Molecular weight
- 214.3
Names & synonyms
tert-butyl N-[1-(pyrrolidin-3-yl)ethyl]carbamatetert-butyl N-(1-(pyrrolidin-3-yl)ethyl)carbamateRefChem:895307827-601-8107258-90-23-(1-(BOC-AMINO)ETHYL)-PYRROLIDINEtert-Butyl (1-(pyrrolidin-3-yl)ethyl)carbamateMFCD18073167tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamateCarbamic acid, [1-(3-pyrrolidinyl)ethyl]-, 1,1-dimethylethyl estertert-Butyl (1-((R)-pyrrolidin-3-yl)ethyl)carbamatetert-Butyl [1-(pyrrolidin-3-yl)ethyl]carbamate
Show more names
1,1-Dimethylethyl N-[1-(3-pyrrolidinyl)ethyl]carbamateCarbamic acid, N-[1-(3-pyrrolidinyl)ethyl]-, 1,1-dimethylethyl ester
SCHEMBL2002713DTXSID30555891HJUZGKGDCUOVML-UHFFFAOYSA-NHEA258903-[1-(Boc-amino)ethyl]pyrrolidineAKOS022651541SB48709SB50174
Database identifiers
- CAS
107258-90-2- PubChem CID
- 14099015
- DTXSID
DTXSID30555891- EC Number
- 827-601-8
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 313.6 · 313.6±15.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 12.43 · 12.43±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
5 records
Compound notes
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