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915923-04-5 molecular structure
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3-chloro-4-(2,6-dimethylmorpholin-4-yl)aniline

ChemBase ID: 312261
Molecular Formular: C12H17ClN2O
Molecular Mass: 240.72918
Monoisotopic Mass: 240.10294085
SMILES and InChIs

SMILES:
N1(c2c(cc(cc2)N)Cl)CC(OC(C1)C)C
Canonical SMILES:
CC1OC(C)CN(C1)c1ccc(cc1Cl)N
InChI:
InChI=1S/C12H17ClN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(14)5-11(12)13/h3-5,8-9H,6-7,14H2,1-2H3
InChIKey:
AFDLMBVDIMFVHA-UHFFFAOYSA-N

Cite this record

CBID:312261 http://www.chembase.cn/molecule-312261.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-4-(2,6-dimethylmorpholin-4-yl)aniline
IUPAC Traditional name
3-chloro-4-(2,6-dimethylmorpholin-4-yl)aniline
Synonyms
3-chloro-4-(2,6-dimethyl-4-morpholinyl)aniline
CAS Number
915923-04-5
MDL Number
MFCD08691873

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.32604  LogD (pH = 7.4) 2.4688911 
Log P 2.471058  Molar Refractivity 67.9039 cm3
Polarizability 25.493849 Å3 Polar Surface Area 38.49 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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