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126645-75-8 molecular structure
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[(4-benzylmorpholin-2-yl)methyl](methyl)amine

ChemBase ID: 799385
Molecular Formular: C13H20N2O
Molecular Mass: 220.3107
Monoisotopic Mass: 220.15756327
SMILES and InChIs

SMILES:
N(C)CC1CN(CCO1)Cc1ccccc1
Canonical SMILES:
CNCC1OCCN(C1)Cc1ccccc1
InChI:
InChI=1S/C13H20N2O/c1-14-9-13-11-15(7-8-16-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKey:
CNCPNEYAICYKCN-UHFFFAOYSA-N

Cite this record

CBID:799385 http://www.chembase.cn/molecule-799385.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-benzylmorpholin-2-yl)methyl](methyl)amine
IUPAC Traditional name
[(4-benzylmorpholin-2-yl)methyl](methyl)amine
Synonyms
(4-Benzyl-morpholin-2-ylmethyl)-methyl-amine
CAS Number
126645-75-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13936 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13936 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.385043  LogD (pH = 7.4) -0.9368035 
Log P 1.3915058  Molar Refractivity 66.0698 cm3
Polarizability 26.251606 Å3 Polar Surface Area 24.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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