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16504-75-9 molecular structure
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(1-14C)propan-1-ol

ChemBase ID: 131499
Molecular Formular: C3H8O
Molecular Mass: 62.08756199
Monoisotopic Mass: 62.06075687
SMILES and InChIs

SMILES:
CC[14CH2]O
Canonical SMILES:
CC[14CH2]O
InChI:
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i3+2
InChIKey:
BDERNNFJNOPAEC-YZRHJBSPSA-N

Cite this record

CBID:131499 http://www.chembase.cn/molecule-131499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-14C)propan-1-ol
IUPAC Traditional name
(1-14C)propan-1-ol
Synonyms
propyl-1-14C alcohol
1-Propanol-1-14C
CAS Number
16504-75-9
MDL Number
MFCD00055841
PubChem SID
162225777
PubChem CID
12201031

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
314153 external link Add to cart Please log in.
Data Source Data ID
PubChem 12201031 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.84662  H Acceptors
H Donor LogD (pH = 5.5) 0.36075327 
LogD (pH = 7.4) 0.36075327  Log P 0.36075327 
Molar Refractivity 17.5339 cm3 Polarizability 6.874204 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2910 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
7 expand Show data source
Risk Statements
11-41-67 expand Show data source
Safety Statements
7-16-24-26-39 expand Show data source
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
2-8°C expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 314153 external link
包装
Break-seal ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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