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97564-73-3 molecular structure
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1-(methylamino)propan-2-one

ChemBase ID: 309056
Molecular Formular: C4H9NO
Molecular Mass: 87.12036
Monoisotopic Mass: 87.06841391
SMILES and InChIs

SMILES:
O=C(CNC)C
Canonical SMILES:
CNCC(=O)C
InChI:
InChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3
InChIKey:
UNCPWMREXAOVOD-UHFFFAOYSA-N

Cite this record

CBID:309056 http://www.chembase.cn/molecule-309056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(methylamino)propan-2-one
IUPAC Traditional name
1-(methylamino)propan-2-one
Synonyms
1-(methylamino)acetone
CAS Number
97564-73-3
MDL Number
MFCD13249712

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2376487  LogD (pH = 7.4) -1.5885986 
Log P -0.38526964  Molar Refractivity 24.3291 cm3
Polarizability 9.696614 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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