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1212390-64-1 molecular structure
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(3S,4S)-4-methoxy-1-(propan-2-yl)pyrrolidin-3-amine

ChemBase ID: 308841
Molecular Formular: C8H18N2O
Molecular Mass: 158.24132
Monoisotopic Mass: 158.14191321
SMILES and InChIs

SMILES:
N1(C[C@@H]([C@H](C1)OC)N)C(C)C
Canonical SMILES:
CO[C@H]1CN(C[C@@H]1N)C(C)C
InChI:
InChI=1S/C8H18N2O/c1-6(2)10-4-7(9)8(5-10)11-3/h6-8H,4-5,9H2,1-3H3/t7-,8-/m0/s1
InChIKey:
RCRIZLJMLOJTPO-YUMQZZPRSA-N

Cite this record

CBID:308841 http://www.chembase.cn/molecule-308841.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,4S)-4-methoxy-1-(propan-2-yl)pyrrolidin-3-amine
IUPAC Traditional name
(3S,4S)-1-isopropyl-4-methoxypyrrolidin-3-amine
Synonyms
trans-1-isopropyl-4-methoxy-3-pyrrolidinamine
CAS Number
1212390-64-1
MDL Number
MFCD12198494

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.303126  LogD (pH = 7.4) -2.0341737 
Log P 0.06760232  Molar Refractivity 45.5202 cm3
Polarizability 18.481222 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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