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1027-94-7 | 4-Piperidinecarbonitrile, 4-[(1-methylethyl)amino]-1-(phenylmethyl)-
CAS No: 1027-94-7 Catalog No: AG00086F MDL No:
Product Description
Catalog Number:
AG00086F
Chemical Name:
4-Piperidinecarbonitrile, 4-[(1-methylethyl)amino]-1-(phenylmethyl)-
CAS Number:
1027-94-7
Molecular Formula:
C16H23N3
Molecular Weight:
257.3739
IUPAC Name:
1-benzyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
InChI:
InChI=1S/C16H23N3/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,18H,8-12H2,1-2H3
InChI Key:
AFWVUHFFBULMAW-UHFFFAOYSA-N
SMILES:
CC(NC1(CCN(CC1)Cc1ccccc1)C#N)C
EC Number:
213-841-5
NSC Number:
73000
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.381g/mol
Monoisotopic Mass:
257.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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