HBC514

CAT: 0926-FBE16167-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FBE16167-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2530161-67-0

Smiles

CN (C) CCN (C) C1=CC=C (C=C1) C=C (C#N) C2=CC=C (C=C2) C#N

Molecular Formula

C21H22N4

Molecular Weight

330.4 g/mol

Controlled

Chemical Information

4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile

CAS Number	2530161-67-0
PubChem CID	146047143
IUPAC Name	4-[(Z)-1-cyano-2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]ethenyl]benzonitrile
Molecular Formula	C21H22N4
Molecular Weight	330.4
XLogP	3.6
Topological Polar Surface Area	54.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	531

SMILES

CN(C)CCN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+

InChIKey

BCLYGBLOTWSFBR-XSFVSMFZSA-N

Chemical Structure

2D Structure

CAS: 2530161-67-0

CID: 146047143

Formula: C21H22N4

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	330.18444672
Monoisotopic Mass	330.18444672
Topological Polar Surface Area	54.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	531
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T19000-01	HBC514