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139126-45-7 molecular structure
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1-(aminomethyl)cyclopropane-1-carboxylic acid

ChemBase ID: 307667
Molecular Formular: C5H9NO2
Molecular Mass: 115.13046
Monoisotopic Mass: 115.06332853
SMILES and InChIs

SMILES:
C1(C(=O)O)(CC1)CN
Canonical SMILES:
NCC1(CC1)C(=O)O
InChI:
InChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChIKey:
MJQJJFZHAQFTDZ-UHFFFAOYSA-N

Cite this record

CBID:307667 http://www.chembase.cn/molecule-307667.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(aminomethyl)cyclopropane-1-carboxylic acid
IUPAC Traditional name
1-(aminomethyl)cyclopropane-1-carboxylic acid
Synonyms
1-(aminomethyl)cyclopropanecarboxylic acid
CAS Number
139126-45-7
MDL Number
MFCD06212872

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5467014  LogD (pH = 7.4) -2.5382931 
Log P -2.5381868  Molar Refractivity 27.9761 cm3
Polarizability 11.294152 Å3 Polar Surface Area 63.32 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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