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919286-71-8 molecular structure
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tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate

ChemBase ID: 294922
Molecular Formular: C10H18BrNO3
Molecular Mass: 280.15882
Monoisotopic Mass: 279.04700544
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N1CCO[C@H](CBr)C1
Canonical SMILES:
BrC[C@H]1OCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey:
RLXCSEPIBOWMOJ-MRVPVSSYSA-N

Cite this record

CBID:294922 http://www.chembase.cn/molecule-294922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate
IUPAC Traditional name
tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate
Synonyms
(S)-tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CAS Number
919286-71-8
MDL Number
MFCD20489339
PubChem SID
180680453
PubChem CID
69388802

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD233816 Please log in.
Data Source Data ID
PubChem 69388802 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7815663  LogD (pH = 7.4) 1.7815663 
Log P 1.7815663  Molar Refractivity 60.76 cm3
Polarizability 23.880861 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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