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914260-76-7 molecular structure
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N-(3-methylbutyl)cyclopropanamine

ChemBase ID: 308395
Molecular Formular: C8H17N
Molecular Mass: 127.22728
Monoisotopic Mass: 127.13609955
SMILES and InChIs

SMILES:
C1(CC1)NCCC(C)C
Canonical SMILES:
CC(CCNC1CC1)C
InChI:
InChI=1S/C8H17N/c1-7(2)5-6-9-8-3-4-8/h7-9H,3-6H2,1-2H3
InChIKey:
DFCGUBWPNVTPFC-UHFFFAOYSA-N

Cite this record

CBID:308395 http://www.chembase.cn/molecule-308395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-methylbutyl)cyclopropanamine
IUPAC Traditional name
N-(3-methylbutyl)cyclopropanamine
Synonyms
N-(3-methylbutyl)cyclopropanamine
CAS Number
914260-76-7
MDL Number
MFCD09043910

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4029573 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) -1.3461937  LogD (pH = 7.4) -0.84458977 
Log P 1.8836042  Molar Refractivity 40.3268 cm3
Polarizability 16.292534 Å3 Polar Surface Area 12.03 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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