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101-61-1 molecular structure
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4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline

ChemBase ID: 91859
Molecular Formular: C17H22N2
Molecular Mass: 254.36998
Monoisotopic Mass: 254.17829871
SMILES and InChIs

SMILES:
N(c1ccc(cc1)Cc1ccc(cc1)N(C)C)(C)C
Canonical SMILES:
CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C
InChI:
InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
InChIKey:
JNRLEMMIVRBKJE-UHFFFAOYSA-N

Cite this record

CBID:91859 http://www.chembase.cn/molecule-91859.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline
IUPAC Traditional name
tetra-base
Synonyms
4,4-Bis(dimethylamino)diphenylmethane
4,4′-Methylenebis-N,N-dimethylaniline
N,N,N′,N′-Tetramethyl-4,4′-methylenedianiline
4,4'-Bis(dimethylaminophenyl)methane
N,N,N',N-Tetramethyl-4,4'-methylenedianiline
N,N,N',N'-Tetramethyl-4,4'-diaminodiphenylmethane
N,N,N',N'-Tetramethyl-p,p'-diaminodiphenylmethane
NSC 36782
NSC 4892
NSC 9029
Tetrabase
Tetramethyldiaminodiphenylmethane
p,p'-Bis(dimethylamino)diphenylmethane
p,p'-Tetramethyldiaminodiphenylmethane
Bis[4-(dimethylamino)phenyl]methane
4,4'-Methylenebis[N,N-dimethylbenzenamine
4,4'-Methylenebis[N,N-dimethylaniline
p,p'-Methylenedianiline
4,4'-(Dimethylamino)diphenylmethane
4,4'-Bis(dimethylamino)diphenylmethane
Michler's Base
4,4'-Methylenebis(N,N-dimethylaniline)
4,4'-METHYLENE-bis(N,N-DIMETHYLANILINE)
4,4'-bis(DIMETHYLAMINO)DIPHENYL METHANE
N,N,N′,N′-Tetramethyl-4,4′-diaminodiphenylmethane
N,N,N′,N′-Tetramethyl-4,4′-methylenedianiline
Arnolds base
4,4′-Methylenebis(N,N-dimethylaniline)
4,4'-亚甲基二(N,N-二甲基苯氨)
CAS Number
101-61-1
EC Number
202-959-2
MDL Number
MFCD00008317
Beilstein Number
479956
Merck Index
146176
PubChem SID
162078557
24896922
PubChem CID
7567

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9688988  LogD (pH = 7.4) 4.2763915 
Log P 4.2811275  Molar Refractivity 84.6524 cm3
Polarizability 31.396217 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
83-88 °C expand Show data source
85-88°C expand Show data source
87-89 °C expand Show data source
88-89 °C(lit.) expand Show data source
88-91°C expand Show data source
Boiling Point
155-157°C/0.1mm expand Show data source
Flash Point
178 °C expand Show data source
178°C(352°F) expand Show data source
352.4 °F expand Show data source
Storage Warning
Carcinogenic expand Show data source
RTECS
BY2500000 expand Show data source
BY5250000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
3077 expand Show data source
UN3077 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
Download expand Show data source
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German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
45-50/53 expand Show data source
R:45 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
S:28-36/37/39-45-53 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H350-H400-H410-H303 expand Show data source
H350-H410 expand Show data source
GHS Precautionary statements
P201-P273-P308 + P313-P501 expand Show data source
P281-P273-P312-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
≥90% (HPLC) expand Show data source
≥99.0% (NT) expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
puriss. expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
CH2[C6H4N(CH3)2]2 expand Show data source
Empirical Formula (Hill Notation)
C17H22N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05207491 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - M44451 external link
Packaging
5, 100, 500 g in glass bottle
Toronto Research Chemicals - B429780 external link
Bis[4-(dimethylamino)phenyl]methane is an intermediate for dyes. Carcinogen.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Edler, L., et al.: Mutat. Res., 405, 227 (1998)
  • • Andersen, M., et al.: Sci. Total Environ., 274, 3 (1998)
  • • Clewell, H., et al.: Regul. Toxicol. Pharm., 42, 3 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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