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773790-38-8 molecular structure
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[1-(propan-2-yl)-1H-imidazol-2-yl]methanamine

ChemBase ID: 307909
Molecular Formular: C7H13N3
Molecular Mass: 139.19822
Monoisotopic Mass: 139.11094743
SMILES and InChIs

SMILES:
n1(c(ncc1)CN)C(C)C
Canonical SMILES:
NCc1nccn1C(C)C
InChI:
InChI=1S/C7H13N3/c1-6(2)10-4-3-9-7(10)5-8/h3-4,6H,5,8H2,1-2H3
InChIKey:
VEFRQAANQSZUOV-UHFFFAOYSA-N

Cite this record

CBID:307909 http://www.chembase.cn/molecule-307909.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(propan-2-yl)-1H-imidazol-2-yl]methanamine
IUPAC Traditional name
(1-isopropylimidazol-2-yl)methanamine
Synonyms
1-(1-isopropyl-1H-imidazol-2-yl)methanamine
CAS Number
773790-38-8
MDL Number
MFCD09910151

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.385428  LogD (pH = 7.4) -0.73800695 
Log P 0.050769728  Molar Refractivity 40.8773 cm3
Polarizability 15.94977 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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