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131922-07-1 molecular structure
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(1,4-dimethylpiperazin-2-yl)methanamine

ChemBase ID: 101105
Molecular Formular: C7H17N3
Molecular Mass: 143.22998
Monoisotopic Mass: 143.14224756
SMILES and InChIs

SMILES:
N1(C(CN(CC1)C)CN)C
Canonical SMILES:
NCC1CN(C)CCN1C
InChI:
InChI=1S/C7H17N3/c1-9-3-4-10(2)7(5-8)6-9/h7H,3-6,8H2,1-2H3
InChIKey:
DKFODFYKOIZTMO-UHFFFAOYSA-N

Cite this record

CBID:101105 http://www.chembase.cn/molecule-101105.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,4-dimethylpiperazin-2-yl)methanamine
IUPAC Traditional name
(1,4-dimethylpiperazin-2-yl)methanamine
Synonyms
(1,4-dimethylpiperazin-2-yl)methylamine
(1,4-dimethylpiperazin-2-yl)methanamine
1-(1,4-dimethyl-2-piperazinyl)methanamine
CAS Number
131922-07-1
MDL Number
MFCD13151976
PubChem SID
162087873
PubChem CID
10464433

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10464433 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.4304633  LogD (pH = 7.4) -2.9202805 
Log P -0.6999277  Molar Refractivity 43.6582 cm3
Polarizability 17.48637 Å3 Polar Surface Area 32.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.231 expand Show data source
Purity
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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