+1 858-523-8231
Login | Register
menu
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
120107-85-9,MFCD07801129
Catalog No.:AA000Q9P

120107-85-9 | 3-(1H-Imidazol-1-ylmethyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>95%
in stock  
$113.00   $79.00
- +
5g
98%
in stock  
$345.00   $242.00
- +
10g
98%
in stock  
$615.00   $430.00
- +
25g
98%
in stock  
$1,202.00 $842.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000Q9P
Chemical Name:
3-(1H-Imidazol-1-ylmethyl)aniline
CAS Number:
120107-85-9
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD07801129
SMILES:
Nc1cccc(c1)Cn1cncc1
Properties
Properties
 
BP:
392.8°C at 760 mmHg  
Form:
Solid  
MP:
72 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Synonyms
 
  
Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/65794,2006,A1Locationinpatent:Page/Pagecolumn194-196

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/65794,2006,A1Locationinpatent:Page/Pagecolumn193

[1]CurrentPatentAssignee:SENHWABIOSCIENCES-WO2011/31979,2011,A1Locationinpatent:Page/Pagecolumn80

Literature

Title: Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

Journal: Journal of medicinal chemistry 20100225

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
Submit
SDS
Related Products of 120107-85-9
1984117-75-0

1984117-75-0

 4238-71-5

4238-71-5

 56643-85-7

56643-85-7

 56643-83-5

56643-83-5

 61292-50-0

61292-50-0

 1984117-75-0

1984117-75-0
Building Blocks
More >
Historical Records
17070-96-1

17070-96-1
Tags:120107-85-9 Molecular Formula|120107-85-9 MDL|120107-85-9 SMILES|120107-85-9 3-(1H-Imidazol-1-ylmethyl)aniline
Catalog No.: AA000Q9P
120107-85-9,MFCD07801129
120107-85-9 | 3-(1H-Imidazol-1-ylmethyl)aniline
Pack Size： 1g
Purity： >95%
in stock
$113.00 $79.00
Pack Size： 5g
Purity： 98%
in stock
$345.00 $242.00
Pack Size： 10g
Purity： 98%
in stock
$615.00 $430.00
Pack Size： 25g
Purity： 98%
in stock
$1,202.00 $842.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000Q9P
Chemical Name: 3-(1H-Imidazol-1-ylmethyl)aniline
CAS Number: 120107-85-9
Molecular Formula: C10H11N3
Molecular Weight: 173.2144
MDL Number: MFCD07801129
SMILES: Nc1cccc(c1)Cn1cncc1
Properties
BP: 392.8°C at 760 mmHg  
Form: Solid  
MP: 72 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 160  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
56:   
Downstream Synthesis Route
173774-48-6    120107-85-9    892393-40-7 

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/65794,2006,A1Locationinpatent:Page/Pagecolumn194-196

788799-69-9    120107-85-9    892393-38-3 

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/65794,2006,A1Locationinpatent:Page/Pagecolumn193

1256162-94-3    120107-85-9    1256163-12-8 

[1]CurrentPatentAssignee:SENHWABIOSCIENCES-WO2011/31979,2011,A1Locationinpatent:Page/Pagecolumn80

Literature fold

Title: Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

Journal: Journal of medicinal chemistry20100225

Related Products of of 120107-85-9
1984117-75-0
1984117-75-0
4238-71-5
4238-71-5
56643-85-7
56643-85-7
56643-83-5
56643-83-5
61292-50-0
61292-50-0
1984117-75-0
1984117-75-0
Building Blocks More >
1260010-08-9
1260010-08-9
3-Bromo-5-chloro-4-methylpyridine
AA000QMH | MFCD18415476
1260667-67-1
1260667-67-1
6-Bromo-3-hydroxypyrazine-2-carboxylic acid
AA000QYG | MFCD18250199
1260885-52-6
1260885-52-6
Ethyl 2-(pyridazin-3-yl)acetate
AA000RGG | MFCD16036672
1261625-13-1
1261625-13-1
4-(2,3-Difluorophenyl)-3-fluorobenzoic acid
AA000RTA | MFCD18320012
1261895-87-7
1261895-87-7
1-(3-Bromo-5-chlorophenyl)pyrrolidine
AA000S11 | MFCD18311877
1261948-48-4
1261948-48-4
3-(3-Methoxyphenyl)-5-trifluoromethylbenzoic acid
AA000S4Z | MFCD18319514
1262010-56-9
1262010-56-9
3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid
AA000S93 | MFCD18319087
1263283-69-7
1263283-69-7
Methyl 4-(chloromethyl)-3,5-difluorobenzoate
AA000SJX | MFCD17676601
126583-98-0
126583-98-0
N-(1-Ethynylcyclohexyl)-4-methylbenzenesulfonamide
AA000SVW | MFCD05670168
1268524-71-5
1268524-71-5
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6R)-
AA000TA6 | MFCD22124456
Historical Records
17070-96-1
17070-96-1
Submit
© 2017 AA BLOCKS, INC. All rights reserved.