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1227465-77-1 molecular structure
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(1-cyclopropyl-1H-imidazol-5-yl)methanamine

ChemBase ID: 309378
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
n1(c(cnc1)CN)C1CC1
Canonical SMILES:
NCc1cncn1C1CC1
InChI:
InChI=1S/C7H11N3/c8-3-7-4-9-5-10(7)6-1-2-6/h4-6H,1-3,8H2
InChIKey:
XKXFDQDBERIAIP-UHFFFAOYSA-N

Cite this record

CBID:309378 http://www.chembase.cn/molecule-309378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-cyclopropyl-1H-imidazol-5-yl)methanamine
IUPAC Traditional name
(3-cyclopropylimidazol-4-yl)methanamine
Synonyms
1-(1-cyclopropyl-1H-imidazol-5-yl)methanamine
CAS Number
1227465-77-1
MDL Number
MFCD16556136

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) -3.3626897  LogD (pH = 7.4) -1.7239014 
Log P -0.41021404  Molar Refractivity 39.4716 cm3
Polarizability 15.219418 Å3 Polar Surface Area 43.84 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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