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101258-96-2 molecular structure
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2-methyl-2-(pyrrolidin-1-yl)propan-1-ol

ChemBase ID: 308311
Molecular Formular: C8H17NO
Molecular Mass: 143.22668
Monoisotopic Mass: 143.13101417
SMILES and InChIs

SMILES:
N1(C(CO)(C)C)CCCC1
Canonical SMILES:
OCC(N1CCCC1)(C)C
InChI:
InChI=1S/C8H17NO/c1-8(2,7-10)9-5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKey:
NRXIXDFFYWZZNL-UHFFFAOYSA-N

Cite this record

CBID:308311 http://www.chembase.cn/molecule-308311.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2-(pyrrolidin-1-yl)propan-1-ol
IUPAC Traditional name
2-methyl-2-(pyrrolidin-1-yl)propan-1-ol
Synonyms
2-methyl-2-(1-pyrrolidinyl)-1-propanol
CAS Number
101258-96-2
MDL Number
MFCD10686607

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8735213  LogD (pH = 7.4) -2.1446488 
Log P 0.6030166  Molar Refractivity 42.8784 cm3
Polarizability 16.88203 Å3 Polar Surface Area 23.47 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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