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81306-93-6

81306-93-6 Structure

81306-93-6 Structure
IdentificationBack Directory
[Name]

N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine
[CAS]

81306-93-6
[Synonyms]

BOC-D-DAP(Z)-OH
3-N-Cbz-amino-N-Boc-D-alanine
N3-Z-N2-Boc-(2R)-2,3-Diaminopropionic acid
3-{[(benzyloxy)carbonyl]amino}-N-(tert-butoxycarbonyl)-D-alanine
N-α-(t-Butoxycarbonyl)-N-β-carbobenzoxy-D-α,β-diaminopropionic acid
N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine
D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-
3-{[(benzyloxy)carbonyl]amino}-n-{[(2-methyl-2-propanyl)oxy]carbo Nyl}-d-alanine
(2R)-3-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
[Molecular Formula]

C16H22N2O6
[MDL Number]

MFCD18252750
[MOL File]

81306-93-6.mol
[Molecular Weight]

338.36
Chemical PropertiesBack Directory
[Melting point ]

78.5-81.3 °C
[Boiling point ]

548.7±50.0 °C(Predicted)
[density ]

1.235±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[pka]

3.68±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C16H22N2O6/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m1/s1
[InChIKey]

QKMSMVGTLTVHLK-GFCCVEGCSA-N
[SMILES]

C(O)(=O)[C@@H](CNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine(81306-93-6)1HNMR
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