Compound C13H18ClN3O

2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile

CAS: 54239-59-7

Molecular Formula	`C13H18ClN3O`
Molecular Weight	267.75 g/mol
LogP	1.8
Topological Polar Surface Area	82.1 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	267.11383
Heavy Atoms	18
Complexity	320.0

Chemical Identifiers

CAS Number	54239-59-7
SMILES	`CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C#N)O`
InChIKey	`CGCHJJMCSJZEGH-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H18ClN3O (CAS: 54239-59-7) is a chemical compound with molecular formula C13H18ClN3O and molecular weight 267.75 g/mol. Its IUPAC systematic name is 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile. LogP 1.8 Topological Polar Surface Area 82.1 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 267.11383 Heavy Atoms 18 Complexity 320.0 InChI Key: CGCHJJMCSJZEGH-UHFFFAOYSA-N. SMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C#N)O.

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