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1196154-36-5 molecular structure
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(1,5-dimethyl-1H-imidazol-2-yl)methanamine

ChemBase ID: 814405
Molecular Formular: C6H11N3
Molecular Mass: 125.17164
Monoisotopic Mass: 125.09529737
SMILES and InChIs

SMILES:
C(N)c1n(c(cn1)C)C
Canonical SMILES:
Cn1c(CN)ncc1C
InChI:
InChI=1S/C6H11N3/c1-5-4-8-6(3-7)9(5)2/h4H,3,7H2,1-2H3
InChIKey:
UDZOHRPWUVRHGG-UHFFFAOYSA-N

Cite this record

CBID:814405 http://www.chembase.cn/molecule-814405.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,5-dimethyl-1H-imidazol-2-yl)methanamine
IUPAC Traditional name
(1,5-dimethylimidazol-2-yl)methanamine
Synonyms
(1,5-dimethyl-1H-imidazol-2-yl)methanamine
CAS Number
1196154-36-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36569 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36569 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) -2.9261918  LogD (pH = 7.4) -1.3509138 
Log P -0.5230519  Molar Refractivity 36.8596 cm3
Polarizability 14.029836 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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