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当前位置: 首页 » 资料 » 化学物质数据库 » ChemDiv2_003188,Oprea1_263137,Oprea1_434746,BAS 04881739,ST065277,(4-{

ChemDiv2_003188,Oprea1_263137,Oprea1_434746,BAS 04881739,ST065277,(4-{

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摘 要:ChemDiv2_003188,Oprea1_263137,Oprea1_434746,BAS 04881739,ST065277,(4-{[(Furan-2-ylmethyl)-amino]-methyl}-phenyl)-dimethyl-amine, 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline,Canonical SMILES: CN(C)C1=CC=C(C=C1)CNCC2=CC=CO2,InChI: InChI=1/C14
[Synonyms]
ChemDiv2_003188
Oprea1_263137
Oprea1_434746
BAS 04881739
ST065277
(4-{[(Furan-2-ylmethyl)-amino]-methyl}-phenyl)-dimethyl-amine

[Structure]
ChemDiv2_003188,Oprea1_263137,Oprea1_434746,BAS 04881739,ST065277,(4-{

[ Properties Computed from Structure]
Molecular Weight230.30552 [g/mol]
Molecular FormulaC14H18N2O
XLogP2.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass230.141913
MonoIsotopic Mass230.141913
Topological Polar Surface Area28.4
Heavy Atom Count17
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
Canonical SMILES: CN(C)C1=CC=C(C=C1)CNCC2=CC=CO2
InChI: InChI=1/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,
15H,10-11H2,1-2H3

 
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