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1212157-31-7 molecular structure
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(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-amine

ChemBase ID: 308832
Molecular Formular: C8H16N2O
Molecular Mass: 156.22544
Monoisotopic Mass: 156.12626314
SMILES and InChIs

SMILES:
N1([C@@H]2[C@@H](N)COC2)CCCC1
Canonical SMILES:
N[C@H]1COC[C@@H]1N1CCCC1
InChI:
InChI=1S/C8H16N2O/c9-7-5-11-6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2/t7-,8-/m0/s1
InChIKey:
MPUPFMVCVAXZKQ-YUMQZZPRSA-N

Cite this record

CBID:308832 http://www.chembase.cn/molecule-308832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-amine
IUPAC Traditional name
(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-amine
Synonyms
trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine
CAS Number
1212157-31-7
MDL Number
MFCD11617300

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) -4.6882563  LogD (pH = 7.4) -2.2923622 
Log P -0.29998317  Molar Refractivity 43.8938 cm3
Polarizability 17.75141 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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