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25186-34-9 molecular structure
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(2Z)-3-aminoprop-2-enal

ChemBase ID: 797849
Molecular Formular: C3H5NO
Molecular Mass: 71.0779
Monoisotopic Mass: 71.03711379
SMILES and InChIs

SMILES:
C(=O)/C=C\N
Canonical SMILES:
N/C=C\C=O
InChI:
InChI=1S/C3H5NO/c4-2-1-3-5/h1-3H,4H2/b2-1-
InChIKey:
UCRYVFBKCBUURB-UPHRSURJSA-N

Cite this record

CBID:797849 http://www.chembase.cn/molecule-797849.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-3-aminoprop-2-enal
IUPAC Traditional name
(2Z)-3-aminoprop-2-enal
Synonyms
Z-3-Amino-propenal
CAS Number
25186-34-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9880 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9880 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.85326236  LogD (pH = 7.4) -0.85326236 
Log P -0.85326236  Molar Refractivity 20.0012 cm3
Polarizability 7.2341156 Å3 Polar Surface Area 43.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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