N,N-Dimethylbenzylamine
PubChem CID: 7681
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| Compound Synonyms | N,N-DIMETHYLBENZYLAMINE, 103-83-3, Benzyldimethylamine, N-Benzyldimethylamine, N,N-dimethyl-1-phenylmethanamine, Dimethylbenzylamine, BDMA, Benzenemethanamine, N,N-dimethyl-, Benzyl-N,N-dimethylamine, Benzylamine, N,N-dimethyl-, N-(Phenylmethyl)dimethylamine, N,N-Dimethylbenzenemethanamine, Araldite accelerator 062, N,N-Dimethyl-N-benzylamine, N-Benzyl-N,N-dimethylamine, Sumine 2015, N,N'-Dimethylbenzylamine, NSC 5342, CCRIS 6693, TYP7AXQ1YJ, EINECS 203-149-1, UN2619, Benzyl-dimethyl-amine, DTXSID8021854, N-benzyl dimethylamine, AI3-26794, N,N-dimethyl benzylamine, NSC-5342, DTXCID801854, EC 203-149-1, NCGC00090991-02, 28262-13-7, benzyl dimethylamine, CAS-103-83-3, N,?N-?Dimethylbenzylamine(Benzyldimethylamine), UNII-TYP7AXQ1YJ, Benzenemethanamine, dimethyl-, Benzenemethamine, N,N-dimethyl-, Dabco BDMA, N,N-dimethyl-1-phenyl-methanamine, benzyldimethyl-amine, dimethylbenzyl amine, NBenzyldimethylamine, n-dimethylbenzylamine, MFCD00008329, dimethyl benzyl amine, BenzylN,Ndimethylamine, N,NDimethylbenzylamine, DESMORAPID DB, SUMICURE BD, N,NDimethylNbenzylamine, Benzylamine,N-dimethyl-, N,N,-dimethylbenzylamine, N,N-dimethyl-benzylamine, N, N-Dimethylbenzylamine, KAOLIZER 20, N,N-dimethyl benzyl amine, Benzenemethanamine,dimethyl-, dimethyl (phenylmethyl)amine, N(Phenylmethyl)dimethylamine, CATALYST 9915, N,NDimethylbenzenemethanamine, SCHEMBL15900, MLS002222342, CHEMBL45591, A-(DIMETHYLAMINO)TOLUENE, N,N-Dimethyl(phenyl)methanamine, NSC5342, CHEBI:231275, N,N-Dimethylbenzylamine, >=99%, N,N-Dimethyl(phenyl)methanamine #, WLN: 1N1 & 1R, Tox21_113457, Tox21_200719, MSK001877, AKOS000120578, N,N-(DIMETHYL) A-TOLUENEAMINE, FD34601, UN 2619, N,N-DIMETHYL BENZENE METHANAMINE, NCGC00090991-01, NCGC00090991-03, NCGC00258273-01, AC-10211, LS-13652, SMR001307284, 1ST001877, MSK001877-1000, N,N-Dimethylbenzylamine(Benzyldimethylamine), Benzyldimethylamine [UN2619] [Corrosive], D0688, NS00008694, EN300-16212, 1ST001877-1000, Q424966, N,N-Dimethylbenzylamine Solution in Methanol, 1000?g/mL, N,N-Dimethylbenzylamine Solution in Methanol, 1000mug/mL, InChI=1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H, N,N-Dimethylbenzylamine, for protein sequence analysis, >=99.5% (GC), 203-149-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | CNCcccccc6)))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | N,n-dimethylbenzylamine, also known as N-benzyl-n,n-dimethylamine nitrate or benzyl-dimethyl-amine, is a member of the class of compounds known as phenylmethylamines. Phenylmethylamines are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. N,n-dimethylbenzylamine is slightly soluble (in water) and a very strong basic compound (based on its pKa). N,n-dimethylbenzylamine can be found in tea, which makes n,n-dimethylbenzylamine a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylmethylamines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethyl-1-phenylmethanamine |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Subclass | Phenylmethylamines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H13N |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | XXBDWLFCJWSEKW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | liquid |
| Synonyms | Dimethylbenzylamine, DMBA, N-(Phenylmethyl)dimethylamine, N-Benzyl-n,n-dimethylamine, N-Benzyldimethylamine, N,N-Dimethyl-1-phenylmethanamine, N,N-Dimethyl-n-benzylamine, N,N-Dimethylbenzenemethanamine, N,N-Dimethylbenzylamine, N,N'-Dimethylbenzylamine, Benzyl-dimethyl-amine, NN-Dimethylbenzylamine, BDMA, N-Benzyl-N,N-dimethylamine, N-Benzyl-N,N-dimethylamine hydrobromide, N-Benzyl-N,N-dimethylamine hydrochloride, N-Benzyl-N,N-dimethylamine nitrate, Benzyldimethylamine, benzyldimethylamine, n,n-dimethylbenzylamine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C |
| Compound Name | N,N-Dimethylbenzylamine |
| Kingdom | Organic compounds |
| Exact Mass | 135.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 135.21 |
| Gi Absorption | False |
| 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 |
| Inchi | InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| Smiles | CN(C)CC1=CC=CC=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylmethylamines |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643871 - 3. Outgoing r'ship
FOUND_INto/from Erythroxylum Coca (Plant) Rel Props:Reference:ISBN:9788185042138