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1227926-67-1

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1227926-67-1 Structure

1227926-67-1 Structure
IdentificationBack Directory
[Name]

(R)-1-Boc-azepane-2-carboxylic acid
[CAS]

1227926-67-1
[Synonyms]

(R)-1-Boc-azepane-2-carboxylic acid
(R)-1-(tert-Butoxycarbonyl)azepane-2-carboxylic acid
(2R)-1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
1H-Azepine-1,2-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2R)-
[Molecular Formula]

C12H21NO4
[MDL Number]

MFCD18633592
[MOL File]

1227926-67-1.mol
[Molecular Weight]

243.299
Chemical PropertiesBack Directory
[Melting point ]

109-113 °C
[Boiling point ]

369.0±35.0 °C(Predicted)
[density ]

1.133±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

4.03±0.20(Predicted)
[Appearance]

White to light brown Solid
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
[InChIKey]

BKMVFOKQLCHCPK-SECBINFHSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCCCC[C@@H]1C(O)=O
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-1-Boc-azepane-2-carboxylic acid(1227926-67-1)1HNMR
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