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23435-12-3 molecular structure
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4-amino-N-methylbutanamide

ChemBase ID: 308423
Molecular Formular: C5H12N2O
Molecular Mass: 116.16158
Monoisotopic Mass: 116.09496301
SMILES and InChIs

SMILES:
C(=O)(NC)CCCN
Canonical SMILES:
CNC(=O)CCCN
InChI:
InChI=1S/C5H12N2O/c1-7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKey:
IJUCBGPQWGGYBV-UHFFFAOYSA-N

Cite this record

CBID:308423 http://www.chembase.cn/molecule-308423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-methylbutanamide
IUPAC Traditional name
4-amino-N-methylbutanamide
Synonyms
4-amino-N-methylbutanamide
CAS Number
23435-12-3
MDL Number
MFCD09934786

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4030090 external link Add to cart
Data Source Data ID Price
ChemBridge
4030090 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.2233243  LogD (pH = 7.4) -3.6632144 
Log P -1.2050681  Molar Refractivity 32.1767 cm3
Polarizability 12.678941 Å3 Polar Surface Area 55.12 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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