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34490-85-2 molecular structure
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{4-[(dimethylamino)methyl]phenyl}methanamine

ChemBase ID: 249624
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
N(Cc1ccc(cc1)CN)(C)C
Canonical SMILES:
NCc1ccc(cc1)CN(C)C
InChI:
InChI=1S/C10H16N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKey:
LYABQIBGTULUFB-UHFFFAOYSA-N

Cite this record

CBID:249624 http://www.chembase.cn/molecule-249624.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{4-[(dimethylamino)methyl]phenyl}methanamine
IUPAC Traditional name
{4-[(dimethylamino)methyl]phenyl}methanamine
Synonyms
N-[4-(aminomethyl)benzyl]-N,N-dimethylamine
1-[4-(aminomethyl)phenyl]-N,N-dimethylmethanamine
CAS Number
34490-85-2
MDL Number
MFCD04107485
PubChem SID
164305534
PubChem CID
193714

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 193714 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.096256  LogD (pH = 7.4) -2.5215418 
Log P 1.040411  Molar Refractivity 53.0741 cm3
Polarizability 20.798658 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
0.928 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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