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34403-52-6 molecular structure
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4-(aminomethyl)-N,N-dimethylaniline hydrochloride

ChemBase ID: 104933
Molecular Formular: C9H15ClN2
Molecular Mass: 186.6818
Monoisotopic Mass: 186.09237617
SMILES and InChIs

SMILES:
Cl.CN(C)c1ccc(CN)cc1
Canonical SMILES:
NCc1ccc(cc1)N(C)C.Cl
InChI:
InChI=1S/C9H14N2.ClH/c1-11(2)9-5-3-8(7-10)4-6-9;/h3-6H,7,10H2,1-2H3;1H
InChIKey:
ZVWLRZPDCLHDOC-UHFFFAOYSA-N

Cite this record

CBID:104933 http://www.chembase.cn/molecule-104933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(aminomethyl)-N,N-dimethylaniline hydrochloride
IUPAC Traditional name
4-(aminomethyl)-N,N-dimethylaniline hydrochloride
Synonyms
p-DIMETHYLAMINOBENZYLAMINE
CAS Number
34403-52-6
PubChem SID
162093075
PubChem CID
16211837

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02157789 external link Add to cart Please log in.
Data Source Data ID
PubChem 16211837 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8420036  LogD (pH = 7.4) -0.95984447 
Log P 1.2070581  Molar Refractivity 48.96 cm3
Polarizability 18.54865 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02157789 external link
Dihydrochloride
Crystalline

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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