CAS 2696-84-6 | 4-Propylaniline | CAS Number 2696-84-6

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2696-84-6 | 4-Propylaniline

CAS No: 2696-84-6 Catalog No: AG003M03 MDL No:MFCD00007924

Product Description

Catalog Number:

AG003M03

Chemical Name:

4-Propylaniline

CAS Number:

2696-84-6

Molecular Formula:

C9H13N

Molecular Weight:

135.2062

MDL Number:

MFCD00007924

IUPAC Name:

4-propylaniline

InChI:

InChI=1S/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3

InChI Key:

OAPDPORYXWQVJE-UHFFFAOYSA-N

SMILES:

CCCc1ccc(cc1)N

EC Number:

220-271-0

NSC Number:

13208

Properties

Complexity:

82.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

135.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

135.21g/mol

Monoisotopic Mass:

135.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
1-{5-[(E)-(4-Propyl-phen-yl)diazen-yl]-2-hy-droxy-phen-yl}ethanone.	Acta crystallographica. Section E, Structure reports online 20110301
Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule.	Beilstein journal of organic chemistry 20110101
(E)-2-Hydr-oxy-6-[(4-propyl-phenyl)-iminiometh-yl]phenolate.	Acta crystallographica. Section E, Structure reports online 20100101
3,5-Dimeth-oxy-2-[(4-propyl-phen-yl)imino-meth-yl]phenol.	Acta crystallographica. Section E, Structure reports online 20090401