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Molecule
Mbba
CAS: 26227-73-6 · C18H21NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26227-73-6
- Molecular Formula
- C18H21NO
- Molecular Mass
- 267.37 g/mol
Identifiers
CAS Registry Number
26227-73-6
SMILES
CCCCc1ccc(N=Cc2ccc(OC)cc2)cc1
InChI Key
FEIWNULTQYHCDN-UHFFFAOYSA-N
InChI
InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3
Names and Synonyms
- Mbba Synonym
- Benzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]- Synonym
- Aniline, p-butyl-N-(p-methoxybenzylidene)- Synonym
- 4-Butyl-N-[(4-methoxyphenyl)methylene]benzenamine Synonym
- N-(p-Methoxybenzylidene)-p-n-butylaniline Synonym
- p-Butyl-N-(p-methoxybenzylidene)aniline Synonym
- p-[N-(p-Methoxybenzylidene)amino]-n-butylbenzene Synonym
- N-p′-Anisilidine-p-n-butylaniline Synonym
- N-(p-Methoxybenzylidene)-p-butylaniline Synonym
- N-(4-Methoxybenzylidene)-4-butylaniline Synonym
- 4-Butyl-N-(p-methoxybenzylidene)aniline Synonym
- Aniline, 4-butyl-N-(p-methoxybenzylidene)- Synonym
- p-Methoxybenzylidene-p-n-butylaniline Synonym
- 1-Butyl-4-[(p-methoxybenzylidene)amino]benzene Synonym
- p-Anisylidene-p-butylaniline Synonym
- 1-[(p-Methoxybenzylidene)amino]-4-butylbenzene Synonym
- p-Methoxybenzylidene-n-butylaniline Synonym
- DL 1047 N Synonym
- p-Methoxybenzal-p-butylaniline Synonym
- N-Anisylidene-p-butylaniline Synonym
- (p-Methoxybenzylidene)-p-butylaniline Synonym
- N-(4-Methoxybenzal)-4-butylaniline Synonym
- 4-Butyl-N-(4-methoxybenzylidene)aniline Synonym
- p-[N-(p′-Methoxybenzylidene)amino]butylbenzene Synonym
- N-(p-Methoxybenzylidene)-p′-n-butylaniline Synonym
- p-N-Methoxybenzylidene-p-n-butylaniline Synonym
- 4′-Methoxybenzylidiene-4-butylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.37 g/mol | CAS Common Chemistry |
| 267.372 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/MBBA | CAS Common Chemistry |
| Canonical SMILES | N(=CC1=CC=C(OC)C=C1)C2=CC=C(C=C2)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FEIWNULTQYHCDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (p-Methoxybenzylidene)-p-butylaniline | CAS Common Chemistry |
| MBBA | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.59 Ų | RDKit |
| LogP | 4.788400000000004 | RDKit |
| 4.7884 | RDKit | |
| Molar Refractivity | 85.30200000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2778 | RDKit |
| 0.28 | chempirical lib | |
| Exact Mass | 267.162314292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 267.37 g/mol. Edit any field — others recompute live.
