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1158758-59-8 molecular structure
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tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate

ChemBase ID: 63456
Molecular Formular: C10H20N2O2
Molecular Mass: 200.278
Monoisotopic Mass: 200.15247789
SMILES and InChIs

SMILES:
C(=O)(OC(C)(C)C)N1CCC(C)(N)C1
Canonical SMILES:
O=C(N1CCC(C1)(C)N)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-5-10(4,11)7-12/h5-7,11H2,1-4H3
InChIKey:
KYRWEDDXBNZACB-UHFFFAOYSA-N

Cite this record

CBID:63456 http://www.chembase.cn/molecule-63456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate
Synonyms
tert-Butyl 3-amino-3-methyl-pyrrolidine-1-carboxylate
CAS Number
1158758-59-8
MDL Number
MFCD12408544
PubChem SID
162029195
PubChem CID
57415917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068774 external link Add to cart Please log in.
Data Source Data ID
PubChem 57415917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4767282  LogD (pH = 7.4) -1.6368101 
Log P 0.5221093  Molar Refractivity 54.8431 cm3
Polarizability 21.854008 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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