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32923-88-9 molecular structure
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3-(2-methylpropoxy)propan-1-amine

ChemBase ID: 250097
Molecular Formular: C7H17NO
Molecular Mass: 131.21598
Monoisotopic Mass: 131.13101417
SMILES and InChIs

SMILES:
NCCCOCC(C)C
Canonical SMILES:
NCCCOCC(C)C
InChI:
InChI=1S/C7H17NO/c1-7(2)6-9-5-3-4-8/h7H,3-6,8H2,1-2H3
InChIKey:
REJGIEGOYWEWPR-UHFFFAOYSA-N

Cite this record

CBID:250097 http://www.chembase.cn/molecule-250097.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methylpropoxy)propan-1-amine
IUPAC Traditional name
3-(2-methylpropoxy)propan-1-amine
Synonyms
3-isobutoxypropan-1-amine
CAS Number
32923-88-9
MDL Number
MFCD00025618
PubChem SID
164306007
PubChem CID
98668

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14285 external link Add to cart Please log in.
Data Source Data ID
PubChem 98668 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3906314  LogD (pH = 7.4) -1.9285673 
Log P 0.63182855  Molar Refractivity 39.5719 cm3
Polarizability 15.844791 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
1.112 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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