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1212089-23-0 molecular structure
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(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-amine

ChemBase ID: 308812
Molecular Formular: C7H16N2O
Molecular Mass: 144.21474
Monoisotopic Mass: 144.12626314
SMILES and InChIs

SMILES:
N1(C[C@@H]([C@H](C1)OCC)N)C
Canonical SMILES:
CCO[C@H]1CN(C[C@@H]1N)C
InChI:
InChI=1S/C7H16N2O/c1-3-10-7-5-9(2)4-6(7)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1
InChIKey:
GUKCTZQFAWVBCN-BQBZGAKWSA-N

Cite this record

CBID:308812 http://www.chembase.cn/molecule-308812.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-amine
IUPAC Traditional name
(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-amine
Synonyms
trans-4-ethoxy-1-methyl-3-pyrrolidinamine
CAS Number
1212089-23-0
MDL Number
MFCD12198488

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) -4.230185  LogD (pH = 7.4) -2.074876 
Log P -0.3489727  Molar Refractivity 41.1014 cm3
Polarizability 16.638529 Å3 Polar Surface Area 38.49 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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