N,N-Dimethylbenzylamine

Details

• Internal ID: 07b90dd5-d056-4dc2-a97f-045715ba96c1
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenylmethylamines
• IUPAC Name: N,N-dimethyl-1-phenylmethanamine
• InChI: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• InChI Key: XXBDWLFCJWSEKW-UHFFFAOYSA-N
• Popularity: 2,579 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₃N
• Molecular Weight: 135.21 g/mol
• Exact Mass: 135.104799419 g/mol
• Topological Polar Surface Area (TPSA): 3.20 Ų
• XlogP: 2.00

Synonyms

• 103-83-3
• Benzyldimethylamine
• N-Benzyldimethylamine
• 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
• Sumine 2015
• N-Benzyl-N,N-dimethylamine
• TYP7AXQ1YJ
• DTXSID8021854
• NSC-5342
• DTXCID801854
• RefChem:822589
• 203-149-1
• Dimethylbenzylamine
• N,N-dimethyl-1-phenylmethanamine
• N,N'-Dimethylbenzylamine
• NSC 5342
• Benzyl-dimethyl-amine
• N,N-dimethyl-1-phenyl-methanamine
• MFCD00008329
• NCGC00090991-02
• 28262-13-7
• CAS-103-83-3
• CCRIS 6693
• N,?N-?Dimethylbenzylamine(Benzyldimethylamine)
• UNII-TYP7AXQ1YJ
• EINECS 203-149-1
• UN2619
• Benzenemethanamine, dimethyl-
• AI3-26794
• Benzenemethamine, N,N-dimethyl-
• Dabco BDMA
• benzyldimethyl-amine
• dimethylbenzyl amine
• n-dimethylbenzylamine
• dimethyl benzyl amine
• N-benzyl dimethylamine
• Benzylamine,N-dimethyl-
• N,N,-dimethylbenzylamine
• N,N-dimethyl benzylamine
• N,N-dimethyl-benzylamine
• N, N-Dimethylbenzylamine
• N,N-dimethyl benzyl amine
• Benzenemethanamine,dimethyl-
• EC 203-149-1
• dimethyl (phenylmethyl)amine
• SCHEMBL15900
• MLS002222342
• CHEMBL45591
• SCHEMBL160311
• SCHEMBL162718
• SCHEMBL169417
• SCHEMBL294642
• SCHEMBL497768
• SCHEMBL1041217
• SCHEMBL5014268
• SCHEMBL5462061
• SCHEMBL5462064
• 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
• SBB060233
• AKOS000120578
• FD34601
• UN 2619
• NCGC00090991-01
• NCGC00090991-03
• NCGC00258273-01
• AC-10211
• LS-13652
• SMR001307284
• MSK001877-1000
• N,N-Dimethylbenzylamine(Benzyldimethylamine)
• Benzyldimethylamine [UN2619] [Corrosive]
• D0688
• NS00008694
• ST51046456
• EN300-16212
• Q424966
• N,N-Dimethylbenzylamine Solution in Methanol, 1000?g/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)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	39810.7 nM	Potency	via CMAUP
CHEMBL1963	P16473	Thyroid stimulating hormone receptor	1.6 nM; 1.6 nM; 1.6 nM	Potency; Potency; Potency	via CMAUP; via CMAUP; via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	95.88%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	92.96%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.38%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.72%	95.56%
CHEMBL3902	P09211	Glutathione S-transferase Pi	83.83%	93.81%
CHEMBL3401	O75469	Pregnane X receptor	83.21%	94.73%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.11%	90.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 7681
• NPASS: NPC98976
• ChEMBL: CHEMBL45591