4-(Dimethylamino)Benzaldehyde
PubChem CID: 7479
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| Compound Synonyms | 4-(DIMETHYLAMINO)BENZALDEHYDE, 100-10-7, 4-Dimethylaminobenzaldehyde, p-Dimethylaminobenzaldehyde, Ehrlich's reagent, Benzaldehyde, 4-(dimethylamino)-, p-Formyldimethylaniline, p-(Dimethylamino)benzaldehyde, p-Formyl-N,N-dimethylaniline, para-Dimethylaminobenzaldehyde, 4-Dimethylaminobenzenecarbonal, N,N-Dimethyl-p-aminobenzaldehyde, p-(N,N-Dimethylamino)benzaldehyde, MFCD00003381, Reagens ehrlichovo, Benzaldehyde, p-(dimethylamino)-, p-DAB, N,N-Dimethyl-4-formylaniline, 4-N,N-Dimethylaminobenzaldehyde, Ehrlichs reagent, UNII-V7E88PR1YB, NSC 5517, 4-dimethylamino-benzaldehyde, EINECS 202-819-0, V7E88PR1YB, 4-Formyl-N,N-dimethylaniline, DTXSID5021835, AI3-15337, N,N-Dimethyl-4-aminobenzaldehyde, 4-N,N-DIMETHYLBENZALDEHYDE, NSC-5517, 4-dimethylamino benzaldehyde, 4-Formyl-N,N-dimethylanilin, Benzaldehyde, p-dimethylamino-, DTXCID601835, CHEMBL3188333, CHEBI:91114, DIMETHYLAMINOBENZALDEHYDE, P-, 4-DIMETHYL-AMINO-BENZALDEHYDE, P-DIMETHYLAMINOBENZALDEHYDE [MI], Reagens ehrlichovo [Czech], Kovac's reagent for indoles, for microbiology, 4-dimethylaminobenzaldehyd, hydrazine reagent, 4-formyl-N, pFormyldimethylaniline, 2v6n, 4-(N,N-DIMETHYLAMINO)BENZALDEHYDE, pFormylN,Ndimethylaniline, 4dimethylaminobenzaldehyde, p-dimethylaminobenzaldehyd, #VALUE!, p(Dimethylamino)benzaldehyde, p-dimethylamino benzaldehyde, 4(Dimethylamino)benzaldehyde, 4Dimethylaminobenzenecarbonal, N,NDimethylpaminobenzaldehyde, Para-dimehtylaminobenzaldehyde, SCHEMBL61517, Benzaldehyde, p(dimethylamino), p-(dimethylamino) benzaldehyde, 4-(dimethylamino) benzaldehyde, 4-(dimethylamino)-benzaldehyde, Benzaldehyde, 4(dimethylamino), p(N,NDimethylamino)benzaldehyde, P-Dimethylaminobenzaldehyde,(S), 4-(Dimethylamino)benzenecarbonal, WLN: VHR DN1 & 1, 4-N,N-dimethylamino benzaldehyde, NSC5517, para-N,N-dimethylaminobenzaldehyde, BCP30263, HY-Y0015, Tox21_300707, 4-(Dimethylamino)benzaldehyde, 98%, BDBM50101990, STK199263, AKOS000118908, CS-W020083, FD29087, NCGC00184048-01, NCGC00184048-02, NCGC00184048-03, NCGC00184048-04, NCGC00184048-05, NCGC00254615-01, AS-10767, CAS-100-10-7, D0645, D1495, NS00020551, p-Dimethylaminobenzaldehyde, Ehrlich's reagent, 4-(Dimethylamino)benzaldehyde A.C.S. reagent, EN300-18036, 4-(Dimethylamino)benzaldehyde, p.a., 99.0%, W18656, AB01333894-02, 4-(Dimethylamino)benzaldehyde, ACS reagent, 99%, A800043, AG-205/03202034, Q1225737, Z57127528, F2190-0620, 4-(Dimethylamino)benzaldehyde, JIS special grade, >=99.0%, 4-(Dimethylamino)benzaldehyde, Vetec(TM) reagent grade, 98%, 4-(Dimethylamino)benzaldehyde, puriss. p.a., Reag. Ph. Eur., >=99% (perchloric acid titration), 4-(Dimethylamino)benzaldehyde, suitable for histochemical demonstration of nitro blue tetrazolium reduction in neutrophils, 4-N, p-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O=Ccccccc6))NC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoyl derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11509, Q16696, P31648, Q16236 |
| Iupac Name | 4-(dimethylamino)benzaldehyde |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT240, NPT2599 |
| Xlogp | 1.8 |
| Superclass | Benzenoids |
| Subclass | Benzoyl derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.779 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.891 |
| Synonyms | 4-Dimethylaminobenzaldehyde, 4-Dimethylaminobenzenecarbonal, 4-Formyl-N,N-dimethylanilin, 4-N,N-Dimethylaminobenzaldehyde, Ehrlich's reagent, N,N-Dimethyl-4-aminobenzaldehyde, N,N-Dimethyl-4-formylaniline, N,N-Dimethyl-p-aminobenzaldehyde, p-(Dimethylamino)benzaldehyde, p-(N,N-Dimethylamino)benzaldehyde, p-DAB, p-Dimethylaminobenzaldehyde, p-Formyl-N,N-dimethylaniline, p-Formyldimethylaniline, Para-dimethylaminobenzaldehyde, 4-(Dimethylamino)benzaldehyde, hydrochloride, p-Dimethylaminobenzaldehyde hydrochloride, 4-dimethyl-amino-benzaldehyde, p-dimethylaminobenzaldehyde |
| Esol Class | Soluble |
| Functional Groups | cC=O, cN(C)C |
| Compound Name | 4-(Dimethylamino)Benzaldehyde |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.1769329636363635 |
| Inchi | InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 |
| Smiles | CN(C)C1=CC=C(C=C1)C=O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzoyl derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Mauritiana (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21587830 - 3. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all