benzyldimethylamine

• ChemBase ID: 104938
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: CN(C)Cc1ccccc1
• Canonical SMILES: CN(Cc1ccccc1)C
• InChI: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• InChIKey: XXBDWLFCJWSEKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyldimethylamine
• IUPAC Traditional name: dimethylbenzylamine
• Synonyms: N,N-Dimethylbenzenemethanamine; N-Benzyldimethylamine; Dimethylbenzylamine; Benzyl-N,N-dimethylamine; N-(Phenylmethyl)dimethylamine; BDMe; Sumine 2015, Benzenemethanamine; Dabco B-16, Araldite accelerator 062, N,N-Dimethyl(phenyl)methanamine; Dimethylbenzylamine; N,N-Dimethyl-1-phenylmethanamine; Benzyldimethylamine; N,N-DIMETHYLBENZYLAMINE; N-BENZYLDIMETHYLAMINE; BDMA; DMBA; N,N-Dimethylbenzylamine; N-Benzyldimethylamine; N,N-Dimethylbenzylamine; N-Benzyldimethylamine; N-苄基二甲胺; N,N-二甲基苄胺; N-苄基二甲胺

Database IDs

• CAS Number: 103-83-3
• EC Number: 203-149-1
• MDL Number: MFCD00008329
• Beilstein Number: 1099620
• PubChem SID: 24851151; 24848115; 162093101
• PubChem CID: 7681
• CHEMBL: 45591
• Chemspider ID: 7398
• Wikipedia Title: Dimethylbenzylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.2792611
• LogD (pH = 7.4): 0.3205597
• Log P: 1.9146426
• Molar Refractivity: 44.6007 cm^3
• Polarizability: 17.444096 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.2 g/L (27 °C) in water
• Apperance: colourless to yellow liquid
• Melting Point: -75 °C; -75 °C(lit.); -75°C; -75°C
• Boiling Point: 180 - 183 °C; 183-184 °C/765 mmHg(lit.); 183-184°C; 183-184°C
• Flash Point: 127 °F; 127.4 °F; 53 °C; 54.4°C; 54°C(129°F); 55 °C
• Auto Ignition Point: 410 °C
• Density: 0.9 g/mL at 25 °C(lit.); 0.90 g/ml; 0.900; 0.91 g/cm^3 at 20 °C
• Refractive Index: 1.5010; n20/D 1.50; n20/D 1.501(lit.); n20/D 1.502

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive
• RTECS: DP4500000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2619; UN2619
• German water hazard class: 2
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 3W
• Risk Statements: 10-20/21/22-34-52/53; R:10-20/21/22-34-52/53; R10, R20, R21, R22, R34, R52, R53
• Safety Statements: 1/2-26-36-45-61; 26-36-45-61; S:26-36-45-61; S26, S36, S45, S61
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  3

  3

  0
• GHS Hazard statements: H226-H302-H312-H314-H332-H412; H314-H226-H302-H312-H332-H412
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2619 8/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99%; ≥99.5% (GC); 98%; 98+%
• Grade: for protein sequence analysis; purum
• Linear Formula: C6H5CH2N(CH3)2

DETAILS

MP Biomedicals - 02157804

1 ml = approx. 0.90 g

MP Biomedicals - 05215276

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 185582

Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 136921

Packaging
1 L in glass bottle
500 mL in glass bottle