chempirical

(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate

C19H20N2O4CAS 127785-96-0340.38 g/mol

Open in Covalent MOL file
NH2NHOHOOOH
AlkeneCarboxylic acidPrimary amineSecondary amine

Properties

Molecular formula
C19H20N2O4
Molar mass
340.38 g/mol
Exact mass
340.1423 Da
Melting point
194–195 °C (decomposes)
logP
2.41Crippen estimate
Polar surface area
112.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
127785-96-0
SMILES
NCC1Nc2ccccc2Cc2ccccc21.O=C(O)/C=C/C(=O)O
InChIKey
IUQYGXGUFNMQGL-WLHGVMLRSA-N
InChI
InChI=1S/C15H16N2.C4H4O4/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15;5-3(6)1-2-4(7)8/h1-8,15,17H,9-10,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 5H-Dibenz[B,E]azepine-6-methanamine, 6,11-dihydro-, (2E)-2-butenedioate (1:1)
  • 5H-Dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-, (E)-2-butenedioate (1:1)

Work with (6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined 6,11-Dihydro-5H-dibenz[b,e]azepine-6-methanamine41218-84-2Free base Iron(II) fumarate141-01-5Salt Enalapril maleate76095-16-4Salt, diastereomer Chlorpheniramine maleate113-92-8Salt, stereo not defined Timolol maleate26921-17-5Salt, diastereomer Pyrilamine maleate59-33-6Salt, stereo not defined Sodium fumarate5873-57-4Salt Clemastine fumarate14976-57-9Salt Calcium fumarate19855-56-2Salt

Similar compounds

2-[(6,11-Dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione143878-20-049 % similar (±)-Indoline-2-carboxylic acid16851-56-237 % similar (±)-Indoline-2-carboxylic acid78348-24-037 % similar (S)-Indoline-2-carboxylic acid79815-20-637 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-235 % similar (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-535 % similar Cinnamic acid140-10-333 % similar (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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