PF9601N

CAT: 0926-IFA84563-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-IFA84563-02Size:50 mg

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

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CAS Number

133845-63-3

MDL Number

MFCD00950293

Smiles

C#CCNCC1=CC2=C (N1) C=CC (=C2) OCC3=CC=CC=C3

Molecular Formula

C19H18N2O

Molecular Weight

290.36 g/mol

Controlled

Chemical Information

PF9601N

CAS Number	133845-63-3
PubChem CID	9947954
IUPAC Name	N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine
Molecular Formula	C19H18N2O
Molecular Weight	290.4
XLogP	3
Topological Polar Surface Area	37.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	382

SMILES

C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2

InChIKey

YFPNAYXYKXAKJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133845-63-3

CID: 9947954

Formula: C19H18N2O

MW: 290.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	290.141913202
Monoisotopic Mass	290.141913202
Topological Polar Surface Area	37.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	382
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