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927-55-9 molecular structure
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4-aminopentan-1-ol

ChemBase ID: 160383
Molecular Formular: C5H13NO
Molecular Mass: 103.16282
Monoisotopic Mass: 103.09971404
SMILES and InChIs

SMILES:
C(CCCO)(N)C
Canonical SMILES:
OCCCC(N)C
InChI:
InChI=1S/C5H13NO/c1-5(6)3-2-4-7/h5,7H,2-4,6H2,1H3
InChIKey:
JAXJUENAJXWFBX-UHFFFAOYSA-N

Cite this record

CBID:160383 http://www.chembase.cn/molecule-160383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopentan-1-ol
IUPAC Traditional name
4-aminopentan-1-ol
Synonyms
NSC 1095
4-Amino-1-pentanol
4-aminopentan-1-ol
CAS Number
927-55-9
MDL Number
MFCD16251198
PubChem SID
162254518
PubChem CID
95309

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 95309 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.97209  H Acceptors
H Donor LogD (pH = 5.5) -3.3438985 
LogD (pH = 7.4) -2.8759613  Log P -0.32166344 
Molar Refractivity 30.1399 cm3 Polarizability 12.084012 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Low Melting Solid expand Show data source
Melting Point
32°C expand Show data source
Boiling Point
117-119°C/25 mm expand Show data source
Hydrophobicity(logP)
-0.755 expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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