Talastine

CAT: 0127-BUP03798-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03798-04Size:50 mg

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CAS Number

16188-61-7

Purity

=98%

Smiles

C(C=1C=2C(C(=O)N(CCN(C)C)N1)=CC=CC2)C3=CC=CC=C3

Chemical Information

Talastine

Talastine is a member of phthalazines.

CAS Number	16188-61-7
PubChem CID	65624
IUPAC Name	4-benzyl-2-[2-(dimethylamino)ethyl]phthalazin-1-one
Molecular Formula	C19H21N3O
Molecular Weight	307.4
XLogP	2.8
Topological Polar Surface Area	35.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	440

SMILES

CN(C)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O/c1-21(2)12-13-22-19(23)17-11-7-6-10-16(17)18(20-22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3

InChIKey

LCAAMXMULMCKLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16188-61-7

CID: 65624

Formula: C19H21N3O

MW: 307.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	307.168462302
Monoisotopic Mass	307.168462302
Topological Polar Surface Area	35.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes