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25373-55-1 molecular structure
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[2-(1H-imidazol-1-yl)phenyl]methanamine

ChemBase ID: 17416
Molecular Formular: C10H11N3
Molecular Mass: 173.21444
Monoisotopic Mass: 173.09529737
SMILES and InChIs

SMILES:
c1(n2ccnc2)c(cccc1)CN
Canonical SMILES:
NCc1ccccc1n1cncc1
InChI:
InChI=1S/C10H11N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H,7,11H2
InChIKey:
JHDMBRSDCFLSTD-UHFFFAOYSA-N

Cite this record

CBID:17416 http://www.chembase.cn/molecule-17416.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(1H-imidazol-1-yl)phenyl]methanamine
IUPAC Traditional name
[2-(imidazol-1-yl)phenyl]methanamine
Synonyms
2-Imidazol-1-yl-benzylamine
1-(2-Methylaminophenyl)-1H-imidazole
1-[2-(1H-imidazol-1-yl)phenyl]methanamine
[2-(1H-imidazol-1-yl)phenyl]methanamine
2-(1H-Imidazol-1-yl)benzylamine 97%
CAS Number
25373-55-1
MDL Number
MFCD06654837
PubChem SID
160980723
PubChem CID
3161671

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.610673  LogD (pH = 7.4) -1.3762215 
Log P 0.86217874  Molar Refractivity 62.4798 cm3
Polarizability 20.816536 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
108 - 110°C expand Show data source
Hydrophobicity(logP)
1.032 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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