Home > Compound List > Compound details
83671-43-6 molecular structure
click picture or here to close

N,N-dimethyl-4-[(methylamino)methyl]aniline

ChemBase ID: 90801
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
N(Cc1ccc(cc1)N(C)C)C
Canonical SMILES:
CNCc1ccc(cc1)N(C)C
InChI:
InChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3
InChIKey:
DUIPUNLJRBPNMK-UHFFFAOYSA-N

Cite this record

CBID:90801 http://www.chembase.cn/molecule-90801.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-4-[(methylamino)methyl]aniline
IUPAC Traditional name
N,N-dimethyl-4-[(methylamino)methyl]aniline
Synonyms
(4-Dimethylaminobenzyl)methylamine
N,N-Dimethyl-4-[(methylamino)methyl]aniline 95%
N,N-dimethyl-4-[(methylamino)methyl]aniline
CAS Number
83671-43-6
MDL Number
MFCD04600269
PubChem SID
162077532
PubChem CID
964742

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 964742 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6041701  LogD (pH = 7.4) -0.71506107 
Log P 1.6396385  Molar Refractivity 53.7346 cm3
Polarizability 20.395489 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.675 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
Purity
95% 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