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117194-70-4 molecular structure
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N-butyl-2-(methylamino)acetamide

ChemBase ID: 307933
Molecular Formular: C7H16N2O
Molecular Mass: 144.21474
Monoisotopic Mass: 144.12626314
SMILES and InChIs

SMILES:
C(=O)(NCCCC)CNC
Canonical SMILES:
CCCCNC(=O)CNC
InChI:
InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6-8-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKey:
YPQBXFWRJLBFDU-UHFFFAOYSA-N

Cite this record

CBID:307933 http://www.chembase.cn/molecule-307933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-butyl-2-(methylamino)acetamide
IUPAC Traditional name
N-butyl-2-(methylamino)acetamide
Synonyms
N~1~-butyl-N~2~-methylglycinamide
CAS Number
117194-70-4
MDL Number
MFCD09864444

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4025910 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9454486  LogD (pH = 7.4) -1.3889964 
Log P 0.025737304  Molar Refractivity 41.3705 cm3
Polarizability 16.35698 Å3 Polar Surface Area 41.13 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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