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1017474-41-7 molecular structure
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(1-tert-butylpyrrolidin-3-yl)methanamine

ChemBase ID: 307961
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1(C(C)(C)C)CC(CC1)CN
Canonical SMILES:
NCC1CCN(C1)C(C)(C)C
InChI:
InChI=1S/C9H20N2/c1-9(2,3)11-5-4-8(6-10)7-11/h8H,4-7,10H2,1-3H3
InChIKey:
VEEMPJFRZBKMQS-UHFFFAOYSA-N

Cite this record

CBID:307961 http://www.chembase.cn/molecule-307961.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-tert-butylpyrrolidin-3-yl)methanamine
IUPAC Traditional name
(1-tert-butylpyrrolidin-3-yl)methanamine
Synonyms
1-(1-tert-butyl-3-pyrrolidinyl)methanamine
CAS Number
1017474-41-7
MDL Number
MFCD09937656

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -5.4858503  LogD (pH = 7.4) -3.5872927 
Log P 0.5128957  Molar Refractivity 49.2937 cm3
Polarizability 19.657892 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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