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139015-32-0 molecular structure
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(3S)-N-methylpyrrolidin-3-amine

ChemBase ID: 797000
Molecular Formular: C5H12N2
Molecular Mass: 100.16218
Monoisotopic Mass: 100.10004839
SMILES and InChIs

SMILES:
N1C[C@H](CC1)NC
Canonical SMILES:
CN[C@@H]1CNCC1
InChI:
InChI=1S/C5H12N2/c1-6-5-2-3-7-4-5/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKey:
NGZYRKGJWYJGRS-YFKPBYRVSA-N

Cite this record

CBID:797000 http://www.chembase.cn/molecule-797000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-N-methylpyrrolidin-3-amine
IUPAC Traditional name
(3S)-N-methylpyrrolidin-3-amine
Synonyms
(S)-N-Methylpyrrolidin-3-aMine
CAS Number
139015-32-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5290 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5290 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.3523374  LogD (pH = 7.4) -3.5920947 
Log P -0.60908  Molar Refractivity 29.9844 cm3
Polarizability 12.272833 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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