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6526-79-0 molecular structure
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2-(4-methylphenyl)propan-2-amine

ChemBase ID: 52931
Molecular Formular: C10H15N
Molecular Mass: 149.2328
Monoisotopic Mass: 149.12044949
SMILES and InChIs

SMILES:
c1(ccc(cc1)C(N)(C)C)C
Canonical SMILES:
Cc1ccc(cc1)C(N)(C)C
InChI:
InChI=1S/C10H15N/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7H,11H2,1-3H3
InChIKey:
AHIOEYFAAFXSSZ-UHFFFAOYSA-N

Cite this record

CBID:52931 http://www.chembase.cn/molecule-52931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylphenyl)propan-2-amine
IUPAC Traditional name
2-(4-methylphenyl)propan-2-amine
Synonyms
2-p-Tolylpropan-2-amine
2-(4-Methylphenyl)propan-2-amine
CAS Number
6526-79-0
MDL Number
MFCD08669637
PubChem SID
162057694
PubChem CID
584050

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.70918477  LogD (pH = 7.4) -0.1599248 
Log P 2.3095872  Molar Refractivity 48.6296 cm3
Polarizability 19.207552 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
112°C expand Show data source
Storage Warning
Harmful/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
95+% expand Show data source
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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