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900717-84-2 molecular structure
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2-(1H-imidazol-1-yl)propan-1-amine

ChemBase ID: 307357
Molecular Formular: C6H11N3
Molecular Mass: 125.17164
Monoisotopic Mass: 125.09529737
SMILES and InChIs

SMILES:
n1(cncc1)C(CN)C
Canonical SMILES:
NCC(n1cncc1)C
InChI:
InChI=1S/C6H11N3/c1-6(4-7)9-3-2-8-5-9/h2-3,5-6H,4,7H2,1H3
InChIKey:
AQOYMXGHHZSHPY-UHFFFAOYSA-N

Cite this record

CBID:307357 http://www.chembase.cn/molecule-307357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-imidazol-1-yl)propan-1-amine
IUPAC Traditional name
2-(imidazol-1-yl)propan-1-amine
Synonyms
2-(1H-imidazol-1-yl)-1-propanamine
CAS Number
900717-84-2
MDL Number
MFCD06446928

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) -3.8356051  LogD (pH = 7.4) -2.6124566 
Log P -0.30195692  Molar Refractivity 36.2781 cm3
Polarizability 14.109665 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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