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2878-14-0 molecular structure
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2-methylprop-2-en-1-amine

ChemBase ID: 10416
Molecular Formular: C4H9N
Molecular Mass: 71.12096
Monoisotopic Mass: 71.07349929
SMILES and InChIs

SMILES:
C(C(=C)C)N
Canonical SMILES:
CC(=C)CN
InChI:
InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
InChIKey:
VXDHQYLFEYUMFY-UHFFFAOYSA-N

Cite this record

CBID:10416 http://www.chembase.cn/molecule-10416.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylprop-2-en-1-amine
IUPAC Traditional name
2-methylprop-2-en-1-amine
Synonyms
2-Methylprop-2-en-1-amine
2-Methylallylamine
CAS Number
2878-14-0
MDL Number
MFCD00053646
PubChem SID
160973723
PubChem CID
76141

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76141 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6532416  LogD (pH = 7.4) -1.8519697 
Log P 0.34915224  Molar Refractivity 23.3635 cm3
Polarizability 9.418702 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
78°C expand Show data source
Flash Point
-28°C expand Show data source
Density
0.78 expand Show data source
Storage Warning
FLAMMABLE, CORROSIVE expand Show data source
Highly Flammable/Corrosive expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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