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1062174-58-6 molecular structure
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tert-butyl 2-methylmorpholine-4-carboxylate

ChemBase ID: 292738
Molecular Formular: C10H19NO3
Molecular Mass: 201.26276
Monoisotopic Mass: 201.13649347
SMILES and InChIs

SMILES:
CC1CN(CCO1)C(=O)OC(C)(C)C
Canonical SMILES:
CC1OCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H19NO3/c1-8-7-11(5-6-13-8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKey:
SNCYGCVDBMVSBB-UHFFFAOYSA-N

Cite this record

CBID:292738 http://www.chembase.cn/molecule-292738.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2-methylmorpholine-4-carboxylate
IUPAC Traditional name
tert-butyl 2-methylmorpholine-4-carboxylate
Synonyms
tert-Butyl 2-methylmorpholine-4-carboxylate
CAS Number
1062174-58-6
PubChem SID
180678269
PubChem CID
23562637

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241602 Please log in.
Data Source Data ID
PubChem 23562637 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2883892  LogD (pH = 7.4) 1.2883892 
Log P 1.2883892  Molar Refractivity 53.1818 cm3
Polarizability 21.043314 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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