CAS 1135-12-2 | Benzenamine, 4-(phenylmethyl)- | CAS Number 1135-12-2

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1135-12-2 | Benzenamine, 4-(phenylmethyl)-

CAS No: 1135-12-2 Catalog No: AG0008SJ MDL No:MFCD00047861

Product Description

Catalog Number:

AG0008SJ

Chemical Name:

Benzenamine, 4-(phenylmethyl)-

CAS Number:

1135-12-2

Molecular Formula:

C13H13N

Molecular Weight:

183.2490

MDL Number:

MFCD00047861

IUPAC Name:

4-benzylaniline

InChI:

InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2

InChI Key:

WDTRNCFZFQIWLM-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)Cc1ccccc1

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.254g/mol

Monoisotopic Mass:

183.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene.	Physical chemistry chemical physics : PCCP 20090114