Home Amines 101-16-6
101-16-6,MFCD00008383
Catalog No.:AA0003C4
101-16-6 | 3-Methoxydiphenylamine
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5g
98%
in stock  
$15.00   $10.00
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25g
98%
in stock  
$22.00   $15.00
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100g
98%
in stock  
$72.00   $50.00
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500g
98%
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$279.00   $195.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0003C4
Chemical Name:
3-Methoxydiphenylamine
CAS Number:
101-16-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD00008383
IUPAC Name:
3-methoxy-N-phenylaniline
InChI:
InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChI Key:
MKASXAGBWHIGCF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1ccccc1
EC Number:
202-921-5
Properties
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
3-Methoxydiphenylamine 
101-16-6 
EINECS 202-921-5 
3-methoxydiphenylamin 
3-methoxy diphenylamine 
PubChem13530 
3-methoxydiphenylamine 98% 
3-methoxydiphenylamine 97+% 
3-Methoxydiphenylamine, 98% 
BIDD:GT0233 
SCHEMBL917608 
AC1L1P04 
3-methoxy-n-phenylaniline 
AC1Q48U9 
Jsp000196 
KS-00000NNN 
MKASXAGBWHIGCF-UHFFFAOYSA- 
DTXSID10143614 
n(3-methoxyphenyl)-n-phenylamine 
ZINC409234 
AC1Q5830 
EBD36119 
RW3984 
N-Phenyl-m-anisidine 
AKOS000121435 
N-(3-Methoxyphenyl)-N-phenylamine # 
NE10574 
RP25701 
AC-22498 
AJ-22692 
AK114188 
S641 
SC-46221 
ZB013884 
Benzenamine, 3-methoxy-N-phenyl- 
AB0018718 
TC-066556 
TL8006910 
AM20080714 
FT-0631533 
M1135 
ST24042275 
I14-5191 
W-108925 
InChI=1/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3 
MFCD00008383 
3-methoxyphenylamine 
N-phenyl-m-anisidin 
C13H13NO 
CID7544 
C13-H13-N-O 
AR-1F4048 
3-Methoxydiphenylamine, 98% - 100G 100g 
10158-72-2 
N-phenyl-3-methoxyaniline 
N1-phenyl-3-methoxyaniline 
MKASXAGBWHIGCF-UHFFFAOYSA-N 
N-(3-Methoxyphenyl)-N-phenylamine 
Literature

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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