1,2-Ethanediamine, N-((4-bromophenyl)methyl)-N'-ethyl-N'-methyl-N-2-pyridinyl-, (2Z)-2-butenedioate (1:1)
Basic information
- CAS
14292-35-4- Standard SMILES
CCN(C)CCN(Cc1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O- InChIKey
ZOAMODQUIVKJOU-BTJKTKAUSA-N- Molecular formula
- C21H26BrN3O4
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 463.11067
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N-((4-bromophenyl)methyl)-N'-ethyl-N'-methyl-N-2-pyridinyl-, (2Z)-2-butenedioate (1:1)
- IUPAC
- N'-[(4-bromophenyl)methyl]-N-ethyl-N-methyl-N'-pyridin-2-ylethane-1,2-diamine;(Z)-but-2-enedioic acid
- English name
- N-[(4-bromophenyl)methyl]-N'-ethyl-N'-methyl-N-2-pyridylethylenediamine maleate
- Molecular formula
- C21H26BrN3O4
- Molecular weight
- 464.35284
Names & synonyms
WV-761P116Z5US4R14292-35-41,2-ETHANEDIAMINE, N-((4-BROMOPHENYL)METHYL)-N'-ETHYL-N'-METHYL-N-2-PYRIDINYL-, (2Z)-2-BUTENEDIOATE (1:1)RefChem:1052347238-215-9UNII-P116Z5US4REINECS 238-215-9N-((4-Bromophenyl)methyl)-N'-ethyl-N'-methyl-N-2-pyridinyl-1,2-ethanediamine (Z)-2-butenedioate (1:1)SCHEMBL30280491ZOAMODQUIVKJOU-BTJKTKAUSA-NDTXSID901374148
Show more names
N-[(4-bromophenyl)methyl]-N'-ethyl-N'-methyl-N-2-pyridylethylenediamine maleate
Q27285980N-(P-BROMOBENZYL)-N-(.ALPHA.-PYRIDYL)-N'-METHYL-N'-ETHYLETHYLENEDIAMINE MALEATEPyridine, 2-[(p-bromobenzyl)[2-(ethylmethylamino)ethyl]amino]-, maleate (1:1)
Database identifiers
- CAS
14292-35-4、33855-47-9- PubChem CID
- 44152007
- DTXSID
DTXSID901374148- UNII
- P116Z5US4R
Properties
Computed structural properties
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- FDA UNII
- 116 Z5US4R · P116Z5US4R
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Compound notes
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