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70325-82-5 molecular structure
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1-benzyl-2-methylpyrrolidin-3-amine

ChemBase ID: 173947
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
C1CC(C(N1Cc1ccccc1)C)N
Canonical SMILES:
CC1N(CCC1N)Cc1ccccc1
InChI:
InChI=1S/C12H18N2/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKey:
SFEGZLNDKUGHQJ-UHFFFAOYSA-N

Cite this record

CBID:173947 http://www.chembase.cn/molecule-173947.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-2-methylpyrrolidin-3-amine
IUPAC Traditional name
1-benzyl-2-methylpyrrolidin-3-amine
Synonyms
1-Benzyl-2-methyl-3-pyrrolidinamine
2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine
CAS Number
70325-82-5
PubChem SID
164229857
PubChem CID
12861920

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M320585 external link Add to cart
PubChem 12861920 external link
Data Source Data ID Price
TRC
M320585 external link Add to cart Please log in.
Data Source Data ID
PubChem 12861920 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2650669  LogD (pH = 7.4) -1.0930882 
Log P 1.4824357  Molar Refractivity 59.5359 cm3
Polarizability 23.753328 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)
Solubility
Chloroform expand Show data source
Apperance
Brown Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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