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877212-98-1 molecular structure
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(3aS,6aS)-1-methyl-octahydropyrrolo[2,3-c]pyrrole

ChemBase ID: 309213
Molecular Formular: C7H14N2
Molecular Mass: 126.19946
Monoisotopic Mass: 126.11569846
SMILES and InChIs

SMILES:
N1([C@H]2[C@@H](CC1)CNC2)C
Canonical SMILES:
CN1CC[C@@H]2[C@H]1CNC2
InChI:
InChI=1S/C7H14N2/c1-9-3-2-6-4-8-5-7(6)9/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey:
PFZIWBWEHFZIMT-NKWVEPMBSA-N

Cite this record

CBID:309213 http://www.chembase.cn/molecule-309213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3aS,6aS)-1-methyl-octahydropyrrolo[2,3-c]pyrrole
IUPAC Traditional name
(3aS,6aS)-1-methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole
Synonyms
rac-(3aS,6aS)-1-methyloctahydropyrrolo[3,4-b]pyrrole
CAS Number
877212-98-1
MDL Number
MFCD10676759

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) -3.8287232  LogD (pH = 7.4) -3.2687643 
Log P -0.22024141  Molar Refractivity 37.9639 cm3
Polarizability 15.227027 Å3 Polar Surface Area 15.27 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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