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222530-39-4

222530-39-4 Structure

222530-39-4 Structure
IdentificationBack Directory
[Name]

CYCLOHEXANECARBOXYLIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (1R,3S)-
[CAS]

222530-39-4
[Synonyms]

95.0%(GC&
(1R,3S)-N-BOC-3-aminocyclohexanecarboxylic acid
(1R,3S)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylicacid97+%
(1R,3S)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylicacid
(1R,3S)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid >
CYCLOHEXANECARBOXYLIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (1R,3S)-
(1R,3S)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid
[Molecular Formula]

C12H21NO4
[MDL Number]

MFCD04973107
[MOL File]

222530-39-4.mol
[Molecular Weight]

243.299
Chemical PropertiesBack Directory
[Boiling point ]

396.7±31.0 °C(Predicted)
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.62±0.10(Predicted)
[color ]

White to Almost white
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
[InChIKey]

JSGHMGKJNZTKGF-BDAKNGLRSA-N
[SMILES]

[C@@H]1(C(O)=O)CCC[C@H](NC(OC(C)(C)C)=O)C1
[CAS DataBase Reference]

222530-39-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261
[HS Code ]

2922498590
Hazard InformationBack Directory
[Chemical Properties]

White to Almost white powder to crystal
Spectrum DetailBack Directory
[Spectrum Detail]

CYCLOHEXANECARBOXYLIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (1R,3S)-(222530-39-4)1HNMR
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