3-(Boc-amino)pyrrolidine - CAS 99724-19-3
Catalog: |
BB042327 |
Product Name: |
3-(Boc-amino)pyrrolidine |
CAS: |
99724-19-3 |
Synonyms: |
3-(tert-Butoxycarbonylamino)pyrrolidine; 3-N-Boc-aminopyrrolidine; Tert-butyl N-pyrrolidin-3-ylcarbamate; DL-3-(BOC-Amino)pyrrolidine; Carbamic acid, 3-pyrrolidinyl-, 1,1-dimethylethyl ester; pyrrolidin-3-yl-carbamic acid tert-butyl ester; tert-Butyl 3-pyrrolidinylcarbamate; 3-t-Butoxycarbonylaminopyrrolidine |
IUPAC Name: | tert-butyl N-pyrrolidin-3-ylcarbamate |
Molecular Weight: | 186.25 |
Molecular Formula: | C9H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCNC1 |
InChI: | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12) |
InChI Key: | DQQJBEAXSOOCPG-UHFFFAOYSA-N |
Boiling Point: | 286.4±29.0°C (Predicted) |
Melting Point: | 67°C |
Purity: | 95% |
Density: | 1.04±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Methanol |
Appearance: | White to Light Yellow to Light Orange Crystalline Powder |
Storage: | Store at 2-8°C |
LogP: | 1.59270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248449-A | Aryl spiro-compound containing formamidine and preparation method and application thereof | 20210506 |
CN-112851587-A | Alkyne heterocyclic compound for treating cancer and preparation method and application thereof | 20210121 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
JP-2021116449-A | Method for forming etching solution, replenishing solution and copper wiring | 20200124 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Related Functional Groups
Amines and Anilines
Pyrrolidines
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