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103-49-1 molecular structure
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dibenzylamine

ChemBase ID: 89701
Molecular Formular: C14H15N
Molecular Mass: 197.2756
Monoisotopic Mass: 197.12044949
SMILES and InChIs

SMILES:
N(Cc1ccccc1)Cc1ccccc1
Canonical SMILES:
N(Cc1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey:
BWLUMTFWVZZZND-UHFFFAOYSA-N

Cite this record

CBID:89701 http://www.chembase.cn/molecule-89701.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibenzylamine
IUPAC Traditional name
dibenzyl amine
Synonyms
DIBENZYLAMINE
Dibenzylamine 98%
Dibenzylamine
二苄胺
CAS Number
103-49-1
EC Number
203-117-7
MDL Number
MFCD00004770
Beilstein Number
909664
Merck Index
143011
PubChem SID
24893752
162076564
PubChem CID
7656

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.1655053  LogD (pH = 7.4) 1.5395616 
Log P 3.2560678  Molar Refractivity 63.9186 cm3
Polarizability 25.242508 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-26 °C(lit.) expand Show data source
-26°C expand Show data source
-26°C expand Show data source
Boiling Point
160-163°C/10mm expand Show data source
300 °C(lit.) expand Show data source
300°C expand Show data source
Flash Point
143 °C expand Show data source
143°C(289°F) expand Show data source
289.4 °F expand Show data source
68°C expand Show data source
Density
1.026 expand Show data source
1.026 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5745 expand Show data source
n20/D 1.574 expand Show data source
n20/D 1.574(lit.) expand Show data source
Storage Warning
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
22-34 expand Show data source
22-36/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314-H318 expand Show data source
H302-H315-H318 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H5CH2)2NH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203959 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D34108 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Can be alkylated with alkyl halides in the presence of anhydrous K2CO3 in diglyme. The resulting tertiary amines undergo hydrogenolysis, for example by catalytic transfer using Ammonium formate, A10699, to give primary amines. This sequence thus provides a convenient and milder alternative to the classical Gabriel synthesis: J. Org. Chem., 56, 457 (1991).
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PATENTS

PATENTS

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INTERNET

INTERNET

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