Home > Compound List > Compound details
31788-88-2 molecular structure
click picture or here to close

(2-amino-2-phenylethyl)dimethylamine

ChemBase ID: 17016
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
c1(C(CN(C)C)N)ccccc1
Canonical SMILES:
NC(c1ccccc1)CN(C)C
InChI:
InChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKey:
NPGAXSHDDOESHB-UHFFFAOYSA-N

Cite this record

CBID:17016 http://www.chembase.cn/molecule-17016.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-amino-2-phenylethyl)dimethylamine
IUPAC Traditional name
(2-amino-2-phenylethyl)dimethylamine
Synonyms
N*2*,N*2*-Dimethyl-1-phenyl-ethane-1,2-diamine
beta-Amino-N,N-dimethylphenethylamine
N2,N2-Dimethyl-1-phenylethane-1,2-diamine
N-(2-amino-2-phenylethyl)-N,N-dimethylamine
CAS Number
31788-88-2
MDL Number
MFCD01862528
PubChem SID
160980323
PubChem CID
3158584

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3158584 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9047062  LogD (pH = 7.4) -0.6245415 
Log P 1.1774259  Molar Refractivity 52.2207 cm3
Polarizability 20.803177 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)
Melting Point
235 - 240°C expand Show data source
Hydrophobicity(logP)
1.165 expand Show data source
Storage Warning
IRRITANT 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

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