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56125-49-6 molecular structure
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N-(3-aminopropyl)-4-methylbenzene-1-sulfonamide

ChemBase ID: 311963
Molecular Formular: C10H16N2O2S
Molecular Mass: 228.31124
Monoisotopic Mass: 228.09324876
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(cc1)C)NCCCN
Canonical SMILES:
NCCCNS(=O)(=O)c1ccc(cc1)C
InChI:
InChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,7-8,11H2,1H3
InChIKey:
CYKXMJPJALYMBC-UHFFFAOYSA-N

Cite this record

CBID:311963 http://www.chembase.cn/molecule-311963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-aminopropyl)-4-methylbenzene-1-sulfonamide
IUPAC Traditional name
N-(3-aminopropyl)-4-methylbenzenesulfonamide
Synonyms
N-(3-aminopropyl)-4-methylbenzenesulfonamide
CAS Number
56125-49-6
MDL Number
MFCD03634548

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) -2.4284008  LogD (pH = 7.4) -1.6938441 
Log P 0.26696306  Molar Refractivity 60.969 cm3
Polarizability 24.41841 Å3 Polar Surface Area 72.19 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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