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14047-23-5 molecular structure
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(1-aminopropyl)phosphonic acid

ChemBase ID: 138901
Molecular Formular: C3H10NO3P
Molecular Mass: 139.090161
Monoisotopic Mass: 139.03982982
SMILES and InChIs

SMILES:
CCC(N)P(=O)(O)O
Canonical SMILES:
CCC(P(=O)(O)O)N
InChI:
InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
InChIKey:
DELJNDWGTWHHFA-UHFFFAOYSA-N

Cite this record

CBID:138901 http://www.chembase.cn/molecule-138901.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-aminopropyl)phosphonic acid
IUPAC Traditional name
1-aminopropylphosphonic acid
Synonyms
(1-Aminopropyl)phosphonic acid
(1-氨丙基)膦酸
CAS Number
14047-23-5
MDL Number
MFCD00015404
PubChem SID
162233152
PubChem CID
178368

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
367397 external link Add to cart Please log in.
Data Source Data ID
PubChem 178368 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -0.24213813  H Acceptors
H Donor LogD (pH = 5.5) -2.1470904 
LogD (pH = 7.4) -2.7179682  Log P -2.131822 
Molar Refractivity 29.7132 cm3 Polarizability 12.118418 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C3H10NO3P expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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