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3495-46-3 molecular structure
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3-methylpentan-3-amine

ChemBase ID: 309004
Molecular Formular: C6H15N
Molecular Mass: 101.19
Monoisotopic Mass: 101.12044949
SMILES and InChIs

SMILES:
C(N)(CC)(CC)C
Canonical SMILES:
CCC(CC)(N)C
InChI:
InChI=1S/C6H15N/c1-4-6(3,7)5-2/h4-5,7H2,1-3H3
InChIKey:
VQMPTVQCADWACQ-UHFFFAOYSA-N

Cite this record

CBID:309004 http://www.chembase.cn/molecule-309004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylpentan-3-amine
IUPAC Traditional name
3-methylpentan-3-amine
Synonyms
(1-ethyl-1-methylpropyl)amine
CAS Number
3495-46-3
MDL Number
MFCD00047907

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4035688 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) -1.5567099  LogD (pH = 7.4) -1.3763328 
Log P 1.4735456  Molar Refractivity 32.7724 cm3
Polarizability 13.342089 Å3 Polar Surface Area 26.02 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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