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1024-16-4

1024-16-4 | 4-Piperidinecarbonitrile, 4-(ethylamino)-1-(phenylmethyl)-

CAS No: 1024-16-4 Catalog No: AG0007CT MDL No:

Product Description

Catalog Number:
AG0007CT
Chemical Name:
4-Piperidinecarbonitrile, 4-(ethylamino)-1-(phenylmethyl)-
CAS Number:
1024-16-4
Molecular Formula:
C15H21N3
Molecular Weight:
243.3473
IUPAC Name:
1-benzyl-4-(ethylamino)piperidine-4-carbonitrile
InChI:
InChI=1S/C15H21N3/c1-2-17-15(13-16)8-10-18(11-9-15)12-14-6-4-3-5-7-14/h3-7,17H,2,8-12H2,1H3
InChI Key:
NPYMJCBIPUSGQF-UHFFFAOYSA-N
SMILES:
CCNC1(CCN(CC1)Cc1ccccc1)C#N
EC Number:
213-830-5
NSC Number:
72998

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.174g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.354g/mol
Monoisotopic Mass:
243.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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