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6168-72-5 molecular structure
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2-aminopropanal

ChemBase ID: 180021
Molecular Formular: C3H7NO
Molecular Mass: 73.09378
Monoisotopic Mass: 73.05276385
SMILES and InChIs

SMILES:
C(=O)C(C)N
Canonical SMILES:
CC(C=O)N
InChI:
InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3
InChIKey:
QPMCUNAXNMSGTK-UHFFFAOYSA-N

Cite this record

CBID:180021 http://www.chembase.cn/molecule-180021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopropanal
IUPAC Traditional name
propanal, 2-amino-
Synonyms
2-Amino-1-propanal
CAS Number
6168-72-5
PubChem SID
164235931
PubChem CID
188982

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHO0067 external link Add to cart
PubChem 188982 external link
Data Source Data ID Price
Chemik
CHO0067 external link Add to cart Please log in.
Data Source Data ID
PubChem 188982 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.015125  H Acceptors
H Donor LogD (pH = 5.5) -3.1648939 
LogD (pH = 7.4) -1.4730442  Log P -0.7373276 
Molar Refractivity 19.5719 cm3 Polarizability 7.8588223 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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