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(3-Benzyloxy-4-methoxy-benzylidene)-(2,2-dimethoxy-ethyl)-amine

HCID 280250
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Basic information

CAS
41462-21-9
Standard SMILES
COc1ccc(C=NCC(OC)OC)cc1OCc1ccccc1
InChIKey
LJOPWJLGPXUYFM-UHFFFAOYSA-N
Molecular formula
C19H23NO4
Average molar mass
329.4 g/mol
Monoisotopic mass
329.16270821

Names & identifiers

Preferred name
(3-Benzyloxy-4-methoxy-benzylidene)-(2,2-dimethoxy-ethyl)-amine
IUPAC
N-(2,2-dimethoxyethyl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine

Names & synonyms

41462-21-9(3-benzyloxy-4-methoxy-benzylidene)-(2,2-dimethoxy-ethyl)-amineNSC131709SCHEMBL5745493SCHEMBL5745496DTXSID30299642LJOPWJLGPXUYFM-UHFFFAOYSA-NAKOS004907263NSC-131709(E)-1-[3-(Benzyloxy)-4-methoxyphenyl]-N-(2,2-dimethoxyethyl)methanimine

Database identifiers

CAS
41462-21-9
PubChem CID
280250
DTXSID
DTXSID30299642

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
24
Formal charge
0
Complexity
353

Related reactions

3 records
New reaction record
HRID 1125662 reaction equation
HRID 1125662As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1833132 reaction equation
HRID 1833132As productuspto-grants-2006_06
HRID 1833133 reaction equation
HRID 1833133As reactantuspto-grants-2006_06

Compound notes

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