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18925-44-5 molecular structure
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4,4-dimethylpentan-1-amine

ChemBase ID: 270679
Molecular Formular: C7H17N
Molecular Mass: 115.21658
Monoisotopic Mass: 115.13609955
SMILES and InChIs

SMILES:
C(CCCN)(C)(C)C
Canonical SMILES:
NCCCC(C)(C)C
InChI:
InChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3
InChIKey:
MJOCCSXOVAVKFC-UHFFFAOYSA-N

Cite this record

CBID:270679 http://www.chembase.cn/molecule-270679.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4-dimethylpentan-1-amine
IUPAC Traditional name
4,4-dimethylpentan-1-amine
Synonyms
4,4-dimethylpentan-1-amine
(4,4-dimethylpentyl)amine
CAS Number
18925-44-5
MDL Number
MFCD08449513
PubChem SID
164326589
PubChem CID
14454757

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14454757 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2939008  LogD (pH = 7.4) -0.8737631 
Log P 1.730075  Molar Refractivity 37.4171 cm3
Polarizability 15.189125 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.25 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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