CAS 392338-15-7 tert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamate (HCID 7019173)

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Basic information

CAS: 392338-15-7
Standard SMILES: CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1
InChIKey: XYKYUXYNQDXZTD-MRVPVSSYSA-N
Molecular formula: C10H20N2O2
Average molar mass: 200.28 g/mol
Monoisotopic mass: 200.15247788

Overview

See also: (3R)-3-(Methylamino)pyrrolidine, 3-BOC protected (annotation moved to).

Names & identifiers

Preferred name: tert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamate
IUPAC: tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate
English name: Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
Molecular formula: C10H20N2O2
Molecular weight: 200.28

Names & synonyms

DTXSID70427088tert-butyl methyl[(3R)-pyrrolidin-3-yl]carbamatetert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamateRefChem:1099582DTXCID60377922392338-15-7(R)-tert-butyl methyl(pyrrolidin-3-yl)carbamatetert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate(R)-3-(N-BOC-N-METHYLAMINO)PYRROLIDINEMFCD09263387Methyl-(R)-pyrrolidin-3-yl-carbamic acid tert-butyl ester(R)-3-Boc-Methylaminopyrrolidine

Show more names

(R)-3-Boc-methylamino-pyrrolidine(R)-3-(N-Boc-MethylaMino)pyrrolidine(3R)-3-(Methylamino)pyrrolidine, 3-BOC protectedtert-Butyl (R)-N-methyl-N-(pyrrolidin-3-yl)carbamateMethyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester

(R)-tert-butylmethyl(pyrrolidin-3-yl)carbamate(R)-3-(N-BOC-N-METHYL)AMINOPYRROLIDINEtert-butyl (R)-methyl(pyrrolidin-3-yl)carbamate(R)-3-[N-(tert-butoxycarbonyl)-N-methylamino]pyrrolidineCarbamic acid, methyl-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl esterSCHEMBL1033810XYKYUXYNQDXZTD-MRVPVSSYSA-NMFCD0926338

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 211

Physicochemical properties

Boiling point: 268 ℃ · 268℃
Density: 1.03 · 1.03
Flash point: 116 ℃ · 116℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.85 · 9.85±0.10(Predicted)
form: liquid
color: Pale yellow
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: XYKYUXYNQDXZTD-MRVPVSSYSA-N
SMILES: C(OC(C)(C)C)(=O)N(C)[C@@H]1CCNC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090