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(Q72447885)
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English
(R)-(+)-2-(Boc-Amino)-1,4-butanediol
chemical compound
(2R)-(tert-Butoxycarbonylamino)butane-1,4-diol
[(1R)-3-Hydroxy-1-(hydroxymethyl)propyl]carbamic acid tert-butyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
205.131408088
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(S)-(-)-2-(Boc-Amino)-1,4-butanediol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₉H₁₉NO₄
0 references
canonical SMILES
CC(C)(C)OC(=O)NC(CO)CCO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N[C@H](CCO)CO
0 references
Identifiers
InChI
InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m1/s1
0 references
InChIKey
KLRRFBSWOIUAHZ-SSDOTTSWSA-N
0 references
CAS Registry Number
397246-14-9
1 reference
InChIKey
KLRRFBSWOIUAHZ-SSDOTTSWSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=397246-14-9
PubChem CID
11954482
1 reference
matched by identifier from
InChIKey
InChIKey
KLRRFBSWOIUAHZ-SSDOTTSWSA-N
SureChEMBL ID
SCHEMBL2617386
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLRRFBSWOIUAHZ-SSDOTTSWSA-N
UniChem compound ID
2682202
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60474647
1 reference
matched by identifier from
InChIKey
InChIKey
KLRRFBSWOIUAHZ-SSDOTTSWSA-N
DSSTOX compound identifier
DTXCID50425461
0 references
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