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85983-54-6 molecular structure
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3-chloro-4-(3,5-dimethylpiperidin-1-yl)aniline

ChemBase ID: 312199
Molecular Formular: C13H19ClN2
Molecular Mass: 238.75636
Monoisotopic Mass: 238.1236763
SMILES and InChIs

SMILES:
N1(c2c(cc(cc2)N)Cl)CC(CC(C1)C)C
Canonical SMILES:
CC1CC(C)CN(C1)c1ccc(cc1Cl)N
InChI:
InChI=1S/C13H19ClN2/c1-9-5-10(2)8-16(7-9)13-4-3-11(15)6-12(13)14/h3-4,6,9-10H,5,7-8,15H2,1-2H3
InChIKey:
DEZBYVVELTVSTE-UHFFFAOYSA-N

Cite this record

CBID:312199 http://www.chembase.cn/molecule-312199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-4-(3,5-dimethylpiperidin-1-yl)aniline
IUPAC Traditional name
3-chloro-4-(3,5-dimethylpiperidin-1-yl)aniline
Synonyms
3-chloro-4-(3,5-dimethyl-1-piperidinyl)aniline
CAS Number
85983-54-6
MDL Number
MFCD08691848

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) 3.2343485  LogD (pH = 7.4) 3.433479 
Log P 3.4367201  Molar Refractivity 71.077 cm3
Polarizability 26.634617 Å3 Polar Surface Area 29.26 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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