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5298-72-6 molecular structure
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(1-methylpiperidin-2-yl)methanamine

ChemBase ID: 18507
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(C(CN)CCCC1)C
Canonical SMILES:
NCC1CCCCN1C
InChI:
InChI=1S/C7H16N2/c1-9-5-3-2-4-7(9)6-8/h7H,2-6,8H2,1H3
InChIKey:
PPUMJZMVFCLQBI-UHFFFAOYSA-N

Cite this record

CBID:18507 http://www.chembase.cn/molecule-18507.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methylpiperidin-2-yl)methanamine
IUPAC Traditional name
(1-methylpiperidin-2-yl)methanamine
Synonyms
1-(1-methylpiperidin-2-yl)methanamine
C-(1-Methyl-piperidin-2-yl)-methylamine
(1-methyl-2-piperidinyl)methanamine
CAS Number
5298-72-6
MDL Number
MFCD05022432
PubChem SID
160981814
PubChem CID
2794677

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794677 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.579389  LogD (pH = 7.4) -2.2662752 
Log P 0.30331886  Molar Refractivity 39.7501 cm3
Polarizability 15.965017 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
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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