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93138-55-7,MFCD04114502
Catalog No.:AA003HWW
93138-55-7 | 3-(Piperidin-1-ylmethyl)aniline
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1g
95%
in stock  
$37.00   $26.00
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5g
95%
in stock  
$107.00   $75.00
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Technical Information
Catalog Number:
AA003HWW
Chemical Name:
3-(Piperidin-1-ylmethyl)aniline
CAS Number:
93138-55-7
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
MDL Number:
MFCD04114502
IUPAC Name:
3-(piperidin-1-ylmethyl)aniline
InChI:
InChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChI Key:
SEJNYLBEEMVJNN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CN1CCCCC1
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.147g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.29g/mol
Monoisotopic Mass:
190.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-(Piperidin-1-ylmethyl)aniline 
93138-55-7 
akos msc-0188 
BAS 10834813 
AC1O5HMC 
3-piperidinomethyl-aniline 
chembrdg-bb 4011235 
AC1Q51NL 
SCHEMBL923368 
3-Piperidin-1-ylmethyl-aniline 
CTK5H2135 
DTXSID70424451 
3-(1-Piperidylmethyl)aniline 
SEJNYLBEEMVJNN-UHFFFAOYSA-N 
HMS1699N04 
3-Piperidin-1-ylmethyl-phenylamine 
3-[(piperidin-1-yl)methyl]aniline 
ALBB-021925 
KS-000009QB 
ZINC2599296 
1-(3-AMINOBENZYL)PIPERIDINE 
3-(Piperidin-1-yl)methylphenylamine 
3525AF 
[3-(Piperidin-1-ylmethyl)phenyl]amine 
BBL030221 
MFCD04114502 
SBB085269 
STL257350 
AKOS000160437 
Benzenamine,3-(1-piperidinylmethyl)- 
AB18463 
AC-2583 
MCULE-7718980637 
TRA0013712 
3-(Piperidylmethyl)phenylamine 
AJ-43959 
AN-13809 
AS-31265 
SY002218 
AB0062291 
TR-029182 
3-(piperidin-1-ylmethyl)aniline, AldrichCPR 
BB 0218081 
FT-0677470 
ST50290419 
3-(1-piperidinylmethyl)aniline 
EN300-36760 
Y-1209 
MFCD04114502 (95+%) 
A844456 
I14-17425 
F8880-4654 
3- ANILINE 
C12H18N2 
CID6484331 
2-amino-6-(1-piperazinyl)-4(3H)-pyrimidinone 
3-(PIPERIDINYLMETHYL)ANILINE 
3-(Piperidin-1-ylmethyl)aniline 97% 
BENZENAMINE, 3-(1-PIPERIDINYLMETHYL)- 
3-(PIPERIDYLMETHYL)ANILINE 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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