Home > Compound List > Compound details
7149-42-0 molecular structure
click picture or here to close

(1-methylpiperidin-4-yl)methanamine

ChemBase ID: 68915
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(CCC(CC1)CN)C
Canonical SMILES:
NCC1CCN(CC1)C
InChI:
InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
InChIKey:
AGTPSAZJSOQXHJ-UHFFFAOYSA-N

Cite this record

CBID:68915 http://www.chembase.cn/molecule-68915.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methylpiperidin-4-yl)methanamine
IUPAC Traditional name
(1-methylpiperidin-4-yl)methanamine
Synonyms
(1-methylpiperidin-4-yl)methanamine
(1-Methyl piperidin-4-yl)methyl amine
(1-methyl-4-piperidinyl)methanamine
1-Methyl-piperidin-4-methylamine
(1-Methylpiperidin-4-yl)methylamine
4-(Aminomethyl)-1-methylpiperidine
1-(1-methylpiperidin-4-yl)methanamine
CAS Number
7149-42-0
MDL Number
MFCD11035762
MFCD05022430
PubChem SID
162034645
PubChem CID
81574

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.5555763  LogD (pH = 7.4) -4.8843756 
Log P -0.13805199  Molar Refractivity 40.1879 cm3
Polarizability 15.965017 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.013 expand Show data source
Storage Warning
Corrosive/Harmful expand Show data source
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
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle