Home Amines 1016500-71-2
1016500-71-2,MFCD09932367
Catalog No.:AA0004Z5
1016500-71-2 | 4-Chloro-2-[(ethylamino)methyl]phenol
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1g
>97%
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$140.00   $98.00
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Technical Information
Catalog Number:
AA0004Z5
Chemical Name:
4-Chloro-2-[(ethylamino)methyl]phenol
CAS Number:
1016500-71-2
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD09932367
IUPAC Name:
4-chloro-2-(ethylaminomethyl)phenol
InChI:
InChI=1S/C9H12ClNO/c1-2-11-6-7-5-8(10)3-4-9(7)12/h3-5,11-12H,2,6H2,1H3
InChI Key:
IGZGODFWUJDHQK-UHFFFAOYSA-N
SMILES:
CCNCc1cc(Cl)ccc1O
Properties
Computed Properties
 
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
4-Chloro-2-[(ethylamino)methyl]phenol 
1016500-71-2 
AS-32181 
SY018709 
AB0055604 
Phenol, 4-chloro-2-[(ethylamino)methyl]- 
TC-307665 
Z-4484 
MFCD09932367 (97+%) 
C9H12ClNO 
208186-84-9 
4-Chloro-2-((ethylamino)methyl)phenol 
6129AJ 
MFCD09932367 
ZINC19434862 
AKOS000175767 
TRA0095461 
KS-000009O6 
AJ-73506 
Literature
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