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5454-82-0 molecular structure
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cyclobutylmethanamine hydrochloride

ChemBase ID: 63864
Molecular Formular: C5H12ClN
Molecular Mass: 121.60848
Monoisotopic Mass: 121.06582707
SMILES and InChIs

SMILES:
Cl.C1(CCC1)CN
Canonical SMILES:
NCC1CCC1.Cl
InChI:
InChI=1S/C5H11N.ClH/c6-4-5-2-1-3-5;/h5H,1-4,6H2;1H
InChIKey:
JVZOVVGVPJVLSL-UHFFFAOYSA-N

Cite this record

CBID:63864 http://www.chembase.cn/molecule-63864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclobutylmethanamine hydrochloride
IUPAC Traditional name
cyclobutylmethanamine hydrochloride
Synonyms
1-cyclobutylmethanamine hydrochloride
Cyclobutanemethanamine hydrochloride
CyclobutylMethanaMine hydrochloride
1-Cyclobutylmethylamine hydrochloride
CAS Number
5454-82-0
MDL Number
MFCD00034952
PubChem SID
162029603
PubChem CID
21707944

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4246025  LogD (pH = 7.4) -2.013694 
Log P 0.5996871  Molar Refractivity 26.4618 cm3
Polarizability 10.75224 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
242 - 244°C expand Show data source
Hydrophobicity(logP)
0.868 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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