CAS 107610-92-4 tert-Butyl (4-methylpyrrolidin-3-yl)carbamate (HCID 14738853)

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Basic information

CAS: 107610-92-4
Standard SMILES: CC1CNCC1NC(=O)OC(C)(C)C
InChIKey: BKITXDSDJGOXPN-UHFFFAOYSA-N
Molecular formula: C10H20N2O2
Average molar mass: 200.28 g/mol

Names & identifiers

Preferred name: tert-Butyl (4-methylpyrrolidin-3-yl)carbamate
IUPAC: tert-butyl N-(4-methylpyrrolidin-3-yl)carbamate
English name: 3-N-Boc-amino-4-methyl-pyrrolidine
Molecular formula: C10H20N2O2
Molecular weight: 200.28

Names & synonyms

107610-92-4tert-Butyl (4-methylpyrrolidin-3-yl)carbamatetert-butyl N-(4-methylpyrrolidin-3-yl)carbamate3-(Boc-amino)-4-methylpyrrolidine(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester(4-methylpyrrolidin-3-yl)carbamic acid tert-butyl ester107610-69-5trans-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester(3R,4R)-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl esterCARBAMIC ACID, (4-METHYL-3-PYRROLIDINYL)-, 1,1-DIMETHYLETHYL ESTER, CIS-(3R,4S)-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl estertrans-3-N-Boc-amino-4-methylpyrrolidine

Show more names

1,1-Dimethylethyl N-(4-methyl-3-pyrrolidinyl)carbamateCarbamic acid, (4-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI)

3-N-BOC-AMINO-4-METHYL-PYRROLIDINEtert-butyl n-[trans-4-methylpyrrolidin-3-yl]carbamateSCHEMBL3198789BKITXDSDJGOXPN-UHFFFAOYSA-Ncis-(4-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl esterHEA61092AKOS022186511AT11272

Database identifiers

CAS: 107610-92-4
PubChem CID: 14738853
EC Number: 880-183-9

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 211

Physicochemical properties

Boiling point: 295.1 · 295.1±29.0 °C(Predicted)
Density: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 12.39 · 12.39±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362