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Mbba
CAS: 26227-73-6 | C18H21NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26227-73-6
Molecular Formula:
C18H21NO
Molecular Mass:
267.37 g/mol
Names and Synonyms:
Mbba
Benzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-
Aniline, p-butyl-N-(p-methoxybenzylidene)-
4-Butyl-N-[(4-methoxyphenyl)methylene]benzenamine
N-(p-Methoxybenzylidene)-p-n-butylaniline
p-Butyl-N-(p-methoxybenzylidene)aniline
p-[N-(p-Methoxybenzylidene)amino]-n-butylbenzene
N-p′-Anisilidine-p-n-butylaniline
N-(p-Methoxybenzylidene)-p-butylaniline
N-(4-Methoxybenzylidene)-4-butylaniline
4-Butyl-N-(p-methoxybenzylidene)aniline
Aniline, 4-butyl-N-(p-methoxybenzylidene)-
p-Methoxybenzylidene-p-n-butylaniline
1-Butyl-4-[(p-methoxybenzylidene)amino]benzene
p-Anisylidene-p-butylaniline
1-[(p-Methoxybenzylidene)amino]-4-butylbenzene
p-Methoxybenzylidene-n-butylaniline
DL 1047 N
p-Methoxybenzal-p-butylaniline
N-Anisylidene-p-butylaniline
(p-Methoxybenzylidene)-p-butylaniline
N-(4-Methoxybenzal)-4-butylaniline
4-Butyl-N-(4-methoxybenzylidene)aniline
p-[N-(p′-Methoxybenzylidene)amino]butylbenzene
N-(p-Methoxybenzylidene)-p′-n-butylaniline
p-N-Methoxybenzylidene-p-n-butylaniline
4′-Methoxybenzylidiene-4-butylaniline
Identifiers:
SMILES:
CCCCc1ccc(N=Cc2ccc(OC)cc2)cc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.37 g/mol | CAS Common Chemistry |
| 267.372 g/mol | RDKit | |
| 267.162314292 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 |
| Molar Refractivity | 85.30200000000006 | RDKit |
