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844882-19-5 molecular structure
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3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-amine

ChemBase ID: 307092
Molecular Formular: C10H22N2
Molecular Mass: 170.29508
Monoisotopic Mass: 170.17829871
SMILES and InChIs

SMILES:
N1(CC(C(C)(C)C)N)CCCC1
Canonical SMILES:
NC(C(C)(C)C)CN1CCCC1
InChI:
InChI=1S/C10H22N2/c1-10(2,3)9(11)8-12-6-4-5-7-12/h9H,4-8,11H2,1-3H3
InChIKey:
IWODVMXFHKPVBD-UHFFFAOYSA-N

Cite this record

CBID:307092 http://www.chembase.cn/molecule-307092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-amine
IUPAC Traditional name
3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-amine
Synonyms
3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-amine
CAS Number
844882-19-5
MDL Number
MFCD05856879

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4011428 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.736898  LogD (pH = 7.4) -1.5863959 
Log P 1.4810542  Molar Refractivity 53.2914 cm3
Polarizability 21.50448 Å3 Polar Surface Area 29.26 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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