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348165-30-0 molecular structure
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(3S)-1-tert-butylpyrrolidin-3-amine

ChemBase ID: 815578
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(C[C@H](CC1)N)C(C)(C)C
Canonical SMILES:
N[C@H]1CCN(C1)C(C)(C)C
InChI:
InChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(9)6-10/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKey:
UTEZMBDWXGWOQJ-ZETCQYMHSA-N

Cite this record

CBID:815578 http://www.chembase.cn/molecule-815578.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-1-tert-butylpyrrolidin-3-amine
IUPAC Traditional name
(3S)-1-tert-butylpyrrolidin-3-amine
Synonyms
(S)-1-tert-butylpyrrolidin-3-amine
CAS Number
348165-30-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37912 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37912 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) -4.7929163  LogD (pH = 7.4) -2.7265441 
Log P 0.39534718  Molar Refractivity 44.3101 cm3
Polarizability 17.811394 Å3 Polar Surface Area 29.26 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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