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702699-84-1 molecular structure
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[(2S)-2-amino-2-phenylethyl]dimethylamine

ChemBase ID: 287972
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
CN(C[C@@H](N)c1ccccc1)C
Canonical SMILES:
N[C@@H](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/t10-/m1/s1
InChIKey:
NPGAXSHDDOESHB-SNVBAGLBSA-N

Cite this record

CBID:287972 http://www.chembase.cn/molecule-287972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S)-2-amino-2-phenylethyl]dimethylamine
IUPAC Traditional name
[(2S)-2-amino-2-phenylethyl]dimethylamine
Synonyms
N-((2S)-2-Amino-2-phenylethyl)-N,N-dimethylamine
CAS Number
702699-84-1
MDL Number
MFCD10565843
PubChem SID
180673503
PubChem CID
7009993

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163808 Please log in.
Data Source Data ID
PubChem 7009993 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

Product Information Bioassay(PubChem)
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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