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English
tert-Butyl (3R)-azepan-3-ylcarbamate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
214.168127944
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(S)-tert-Butyl azepan-3-ylcarbamate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₁H₂₂N₂O₂
0 references
canonical SMILES
CC(C)(C)OC(=O)NC1CCCCNC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCCNC1
0 references
Identifiers
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
0 references
InChIKey
NZEPWAXJSWYEDV-SECBINFHSA-N
0 references
CAS Registry Number
1354351-56-6
0 references
PubChem CID
54775497
1 reference
matched by identifier from
InChIKey
InChIKey
NZEPWAXJSWYEDV-SECBINFHSA-N
SureChEMBL ID
SCHEMBL14209056
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NZEPWAXJSWYEDV-SECBINFHSA-N
UniChem compound ID
54586692
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30716763
1 reference
matched by identifier from
InChIKey
InChIKey
NZEPWAXJSWYEDV-SECBINFHSA-N
DSSTOX compound identifier
DTXCID30667509
0 references
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