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91-00-9 molecular structure
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diphenylmethanamine

ChemBase ID: 92023
Molecular Formular: C13H13N
Molecular Mass: 183.24902
Monoisotopic Mass: 183.10479942
SMILES and InChIs

SMILES:
NC(c1ccccc1)c1ccccc1
Canonical SMILES:
NC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
InChIKey:
MGHPNCMVUAKAIE-UHFFFAOYSA-N

Cite this record

CBID:92023 http://www.chembase.cn/molecule-92023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenylmethanamine
IUPAC Traditional name
benzhydrylamin
Synonyms
1,1-Diphenylmethylamine
Aminodiphenylmethane
Benzhydrylamine
diphenylmethanamine
α-Phenyl-benzenemethanamine
1-Amino-1-(phenylmethyl)benzene
NSC 49127
α-Aminodiphenylmethane
Benzhydrylamine
diphenylmethylamine
α-氨基二苯甲烷
二苯甲胺
二苯甲基胺
CAS Number
91-00-9
552-82-9
EC Number
202-032-2
MDL Number
MFCD00008059
Beilstein Number
776434
Merck Index
141076
PubChem SID
24846125
24890969
162078721
PubChem CID
7036

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.03581461  LogD (pH = 7.4) 1.2365433 
Log P 2.8832545  Molar Refractivity 58.8142 cm3
Polarizability 23.393534 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Chloroform expand Show data source
Methanol expand Show data source
Slightly soluble in water expand Show data source
Apperance
Colourless Liquid expand Show data source
Melting Point
11-13°C expand Show data source
11-13°C expand Show data source
12 °C(lit.) expand Show data source
12°C expand Show data source
293 - 295°C expand Show data source
Boiling Point
294-296°C expand Show data source
294-296°C expand Show data source
295 °C(lit.) expand Show data source
295°C expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
~1.06 g/ml expand Show data source
1.063 expand Show data source
1.063 g/mL at 25 °C(lit.) expand Show data source
1.064 expand Show data source
Refractive Index
1.595 expand Show data source
1.5950 expand Show data source
n20/D 1.595(lit.) expand Show data source
n20/D 1.596 expand Show data source
Hydrophobicity(logP)
2.442 expand Show data source
Storage Condition
Room Temperature (15-30°C), Store Under Nitrogen expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Harmful/Air Sensitive/Store under Argon expand Show data source
RTECS
DA4407300 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
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
22-36/37/38 expand Show data source
Safety Statements
20-23-26-36/37/39-45 expand Show data source
26-36 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
Warning expand Show data source
GHS Hazard statements
H301-H314-H318 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
(C6H5)2CHNH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150434 external link
1 ml = ~1.06 g
Sigma Aldrich - A53605 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Mastrangelo, E., et al.: J. Mol. Biol., 384, 673 (2008)
  • • Singh, G., et al.: Eur. J. Med. Chem., 44, 2265 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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