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73037-90-8 molecular structure
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3-{[(4-chlorophenyl)methyl]amino}propan-1-ol

ChemBase ID: 306796
Molecular Formular: C10H14ClNO
Molecular Mass: 199.67726
Monoisotopic Mass: 199.07639175
SMILES and InChIs

SMILES:
c1(Cl)ccc(cc1)CNCCCO
Canonical SMILES:
OCCCNCc1ccc(cc1)Cl
InChI:
InChI=1S/C10H14ClNO/c11-10-4-2-9(3-5-10)8-12-6-1-7-13/h2-5,12-13H,1,6-8H2
InChIKey:
IIECOMXFSFQMMM-UHFFFAOYSA-N

Cite this record

CBID:306796 http://www.chembase.cn/molecule-306796.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{[(4-chlorophenyl)methyl]amino}propan-1-ol
IUPAC Traditional name
3-{[(4-chlorophenyl)methyl]amino}propan-1-ol
Synonyms
3-[(4-chlorobenzyl)amino]propan-1-ol
CAS Number
73037-90-8
MDL Number
MFCD04595189

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6266477  LogD (pH = 7.4) -0.3640669 
Log P 1.5054971  Molar Refractivity 55.2685 cm3
Polarizability 21.695751 Å3 Polar Surface Area 32.26 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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