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51013-67-3 molecular structure
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4-(morpholin-4-ylmethyl)aniline

ChemBase ID: 13384
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
N1(Cc2ccc(N)cc2)CCOCC1
Canonical SMILES:
Nc1ccc(cc1)CN1CCOCC1
InChI:
InChI=1S/C11H16N2O/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKey:
WNYFVEFUHMDIRQ-UHFFFAOYSA-N

Cite this record

CBID:13384 http://www.chembase.cn/molecule-13384.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(morpholin-4-ylmethyl)aniline
4-[(morpholin-4-yl)methyl]aniline
IUPAC Traditional name
4-(morpholin-4-ylmethyl)aniline
Synonyms
4-(morpholinomethyl)aniline
4-(4-Morpholinylmethyl)benzenamine
4-(4-Aminobenzyl)morpholine
4-(4-Morpholinylmethyl)aniline
4-(Morpholin-4-ylmethyl)phenylamine
4-Morpholinomethylphenylamine
4-Morpholinomethylaniline
4-Morpholin-4-ylmethyl-phenylamine
4-(morpholin-4-ylmethyl)aniline
CAS Number
51013-67-3
MDL Number
MFCD03659020
PubChem SID
160976691
PubChem CID
776851

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8303602  LogD (pH = 7.4) 0.6579287 
Log P 0.86721617  Molar Refractivity 58.3756 cm3
Polarizability 22.166222 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.662 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
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
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M723770 external link
An aniline derivative used in the preparation of tyrosine kinase inhibitors.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lin, R. et al.: Bioorg. Med. Chem. Lett., 19, 2333 (2009)
  • • Brasca, M. et al.: J. Med. Chem., 52. 5152 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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